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- PDB-5j4d: E. coli release factor 1 bound to the 70S ribosome in response to... -

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Basic information

Entry
Database: PDB / ID: 5j4d
TitleE. coli release factor 1 bound to the 70S ribosome in response to a pseudouridylated stop codon
Components
  • (30S ribosomal protein ...) x 20
  • (50S ribosomal protein ...) x 29
  • 16S ribosomal RNA
  • 25S ribosomal RNA
  • 5S ribosomal RNA
  • Peptide chain release factor 1
  • mRNAMessenger RNA
  • tRNATransfer RNA
KeywordsRIBOSOME / pseudouridine / post-transcriptional modification of mRNA / translation regulation / stop-codon read through / translation termination / translation
Function / homology
Function and homology information


translation release factor activity, codon specific / translational termination / ribosome binding / large ribosomal subunit / small ribosomal subunit / 5S rRNA binding / transferase activity / tRNA binding / rRNA binding / ribosome ...translation release factor activity, codon specific / translational termination / ribosome binding / large ribosomal subunit / small ribosomal subunit / 5S rRNA binding / transferase activity / tRNA binding / rRNA binding / ribosome / structural constituent of ribosome / ribonucleoprotein complex / translation / mRNA binding / zinc ion binding / metal ion binding / cytosol / cytoplasm
Similarity search - Function
Peptide chain release factor 1 / Peptide chain release factor / PCRF domain / PCRF / Peptide chain release factor class I superfamily / Prokaryotic-type class I peptide chain release factors signature. / Peptide chain release factor class I / RF-1 domain / 30S ribosomal protein Thx / 30S ribosomal protein Thx ...Peptide chain release factor 1 / Peptide chain release factor / PCRF domain / PCRF / Peptide chain release factor class I superfamily / Prokaryotic-type class I peptide chain release factors signature. / Peptide chain release factor class I / RF-1 domain / 30S ribosomal protein Thx / 30S ribosomal protein Thx / 30S ribosomal protein / Ribosomal protein L25, long-form / Ribosomal protein L25, beta domain / Ribosomal protein L25, C-terminal / Ribosomal protein TL5, C-terminal domain / Ribosomal protein S14, type Z / Ribosomal protein L31 type A / Ribosomal protein L31 signature. / Ribosomal protein L31 / Ribosomal protein L31 superfamily / Ribosomal protein L31 / Ribosomal protein L9 signature. / Ribosomal protein L9, bacteria/chloroplast / Ribosomal protein L9, C-terminal / Ribosomal protein L9, C-terminal domain / Ribosomal protein L9, C-terminal domain superfamily / Ribosomal L25p family / Ribosomal protein L25 / Ribosomal protein S14/S29 / Ribosomal protein L36 signature. / Ribosomal protein L25/Gln-tRNA synthetase, N-terminal / Ribosomal protein L32p, bacterial type / Ribosomal protein L25/Gln-tRNA synthetase, anti-codon-binding domain superfamily / Ribosomal protein L9, N-terminal domain superfamily / Ribosomal protein L9 / Ribosomal protein L9, N-terminal / Ribosomal protein L9, N-terminal domain / Ribosomal protein L28 / Ribosomal protein L35, conserved site / Ribosomal protein L35 signature. / Ribosomal protein L33, conserved site / Ribosomal protein L33 signature. / Ribosomal protein L35, non-mitochondrial / Ribosomal protein L5, bacterial-type / Ribosomal protein L6, bacterial-type / Ribosomal protein L18, bacterial-type / Ribosomal protein L19, conserved site / Ribosomal protein L19 signature. / Ribosomal protein L36 / Ribosomal protein L36 superfamily / Ribosomal protein L36 / Ribosomal protein L9/RNase H1, N-terminal / Ribosomal protein L20 signature. / Ribosomal protein S3, bacterial-type / Ribosomal protein S6, conserved site / Ribosomal protein S6 signature. / Ribosomal protein L27, conserved site / Ribosomal protein L27 signature. / Ribosomal protein S19, bacterial-type / Ribosomal protein S7, bacterial/organellar-type / Ribosomal protein S11, bacterial-type / Ribosomal protein S13, bacterial-type / Ribosomal protein S20 / Ribosomal protein S20 superfamily / Ribosomal protein S20 / Ribosomal protein S9, bacterial/plastid / Ribosomal protein S4, bacterial-type / Ribosomal protein L14P, bacterial-type / Ribosomal protein L34, conserved site / Ribosomal protein L34 signature. / 30S ribosomal protein S17 / Ribosomal protein S5, bacterial-type / Ribosomal protein L22, bacterial/chloroplast-type / Ribosomal protein S6, plastid/chloroplast / Ribosomal protein L35 / Ribosomal protein L35 superfamily / Ribosomal protein L2, bacterial/organellar-type / Ribosomal protein L35 / Ribosomal protein S2, bacteria/mitochondria/plastid / Ribosomal L28 family / Ribosomal protein L33 / Ribosomal protein L33 / Ribosomal protein L28/L24 / Ribosomal protein L33 superfamily / : / Ribosomal protein L30, bacterial-type / Ribosomal protein L16 / Ribosomal protein L18 / Ribosomal L18 of archaea, bacteria, mitoch. and chloroplast / Ribosomal protein S18, conserved site / Ribosomal protein S18 signature. / L28p-like / Ribosomal protein L20 / Ribosomal protein S16 / Ribosomal protein S16 / Ribosomal protein S16 domain superfamily / Ribosomal protein L20 / Ribosomal protein L20, C-terminal / Ribosomal protein L21 / Ribosomal protein L27
Similarity search - Domain/homology
: / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Peptide chain release factor RF1 / Large ribosomal subunit protein bL27 / Small ribosomal subunit protein uS12 ...: / : / : / RNA / RNA (> 10) / RNA (> 100) / RNA (> 1000) / Peptide chain release factor RF1 / Large ribosomal subunit protein bL27 / Small ribosomal subunit protein uS12 / Small ribosomal subunit protein bS16 / Small ribosomal subunit protein bTHX / Large ribosomal subunit protein bL32 / Small ribosomal subunit protein uS10 / Small ribosomal subunit protein uS11 / Small ribosomal subunit protein uS13 / Small ribosomal subunit protein uS14 / Small ribosomal subunit protein uS15 / Small ribosomal subunit protein uS17 / Small ribosomal subunit protein bS18 / Small ribosomal subunit protein uS19 / Small ribosomal subunit protein bS20 / Small ribosomal subunit protein uS2 / Small ribosomal subunit protein uS3 / Small ribosomal subunit protein uS4 / Small ribosomal subunit protein uS5 / Small ribosomal subunit protein bS6 / Small ribosomal subunit protein uS7 / Small ribosomal subunit protein uS8 / Small ribosomal subunit protein uS9 / Large ribosomal subunit protein bL34 / Large ribosomal subunit protein bL28 / Large ribosomal subunit protein bL9 / Large ribosomal subunit protein bL33 / Large ribosomal subunit protein bL21 / Large ribosomal subunit protein uL3 / Large ribosomal subunit protein uL4 / Large ribosomal subunit protein uL23 / Large ribosomal subunit protein uL2 / Large ribosomal subunit protein uL22 / Large ribosomal subunit protein uL16 / Large ribosomal subunit protein uL29 / Large ribosomal subunit protein uL14 / Large ribosomal subunit protein uL24 / Large ribosomal subunit protein uL5 / Large ribosomal subunit protein uL6 / Large ribosomal subunit protein uL18 / Large ribosomal subunit protein uL30 / Large ribosomal subunit protein uL15 / Large ribosomal subunit protein bL36 / Large ribosomal subunit protein bL17 / Large ribosomal subunit protein bL25 / Large ribosomal subunit protein uL13 / Large ribosomal subunit protein bL31 / Large ribosomal subunit protein bL19 / Large ribosomal subunit protein bL20 / Large ribosomal subunit protein bL35
Similarity search - Component
Biological speciesEscherichia coli (E. coli)
Thermus thermophilus HB27 (bacteria)
Escherichia coli K-12 (bacteria)
Thermus thermophilus (bacteria)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å
AuthorsSvidritskiy, E. / Korostelev, A.A.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM107465 United States
CitationJournal: J.Mol.Biol. / Year: 2016
Title: Structural Basis for Translation Termination on a Pseudouridylated Stop Codon.
Authors: Svidritskiy, E. / Madireddy, R. / Korostelev, A.A.
History
DepositionMar 31, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0May 18, 2016Provider: repository / Type: Initial release
Revision 1.1Jun 8, 2016Group: Database references
Revision 1.2Sep 6, 2017Group: Author supporting evidence / Database references / Derived calculations
Category: citation / pdbx_audit_support / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _pdbx_audit_support.funding_organization / _pdbx_struct_oper_list.symmetry_operation
Revision 2.0Jul 11, 2018Group: Data collection / Polymer sequence / Category: entity_poly / Item: _entity_poly.type
Revision 2.1Dec 25, 2019Group: Author supporting evidence / Category: pdbx_audit_support / Item: _pdbx_audit_support.funding_organization

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: 16S ribosomal RNA
B: 25S ribosomal RNA
C: 5S ribosomal RNA
D: tRNA
E: 50S ribosomal protein L2
F: 50S ribosomal protein L3
G: 50S ribosomal protein L4
H: 50S ribosomal protein L5
I: 50S ribosomal protein L6
J: 50S ribosomal protein L9
K: 50S ribosomal protein L13
L: 50S ribosomal protein L14
M: 50S ribosomal protein L15
N: 50S ribosomal protein L16
O: 50S ribosomal protein L17
P: 50S ribosomal protein L18
Q: 50S ribosomal protein L19
R: 50S ribosomal protein L20
S: 50S ribosomal protein L21
T: 50S ribosomal protein L22
U: 50S ribosomal protein L23
V: 50S ribosomal protein L24
W: 50S ribosomal protein L25
X: 50S ribosomal protein L27
Y: 50S ribosomal protein L28
Z: 50S ribosomal protein L29
AA: 50S ribosomal protein L30
BA: 50S ribosomal protein L31
CA: 50S ribosomal protein L32
DA: 50S ribosomal protein L33
EA: 50S ribosomal protein L34
FA: 50S ribosomal protein L35
GA: 50S ribosomal protein L36
HA: mRNA
IA: tRNA
JA: Peptide chain release factor 1
KA: 30S ribosomal protein S2
LA: 30S ribosomal protein S3
MA: 30S ribosomal protein S4
NA: 30S ribosomal protein S5
OA: 30S ribosomal protein S6
PA: 30S ribosomal protein S7
QA: 30S ribosomal protein S8
RA: 30S ribosomal protein S9
SA: 30S ribosomal protein S10
TA: 30S ribosomal protein S11
UA: 30S ribosomal protein S12
VA: 30S ribosomal protein S13
WA: 30S ribosomal protein S14 type Z
XA: 30S ribosomal protein S15
YA: 30S ribosomal protein S16
ZA: 30S ribosomal protein S17
AB: 30S ribosomal protein S18
BB: 30S ribosomal protein S19
CB: 30S ribosomal protein S20
DB: 30S ribosomal protein Thx
FB: 16S ribosomal RNA
GB: 25S ribosomal RNA
HB: 5S ribosomal RNA
IB: tRNA
JB: 50S ribosomal protein L2
KB: 50S ribosomal protein L3
LB: 50S ribosomal protein L4
MB: 50S ribosomal protein L5
NB: 50S ribosomal protein L6
OB: 50S ribosomal protein L9
PB: 50S ribosomal protein L13
QB: 50S ribosomal protein L14
RB: 50S ribosomal protein L15
SB: 50S ribosomal protein L16
TB: 50S ribosomal protein L17
UB: 50S ribosomal protein L18
VB: 50S ribosomal protein L19
WB: 50S ribosomal protein L20
XB: 50S ribosomal protein L21
YB: 50S ribosomal protein L22
ZB: 50S ribosomal protein L23
AC: 50S ribosomal protein L24
BC: 50S ribosomal protein L25
CC: 50S ribosomal protein L27
DC: 50S ribosomal protein L28
EC: 50S ribosomal protein L29
FC: 50S ribosomal protein L30
GC: 50S ribosomal protein L31
HC: 50S ribosomal protein L32
IC: 50S ribosomal protein L33
JC: 50S ribosomal protein L34
KC: 50S ribosomal protein L35
LC: 50S ribosomal protein L36
MC: mRNA
NC: tRNA
OC: Peptide chain release factor 1
PC: 30S ribosomal protein S2
QC: 30S ribosomal protein S3
RC: 30S ribosomal protein S4
SC: 30S ribosomal protein S5
TC: 30S ribosomal protein S6
UC: 30S ribosomal protein S7
VC: 30S ribosomal protein S8
WC: 30S ribosomal protein S9
XC: 30S ribosomal protein S10
YC: 30S ribosomal protein S11
ZC: 30S ribosomal protein S12
AD: 30S ribosomal protein S13
BD: 30S ribosomal protein S14 type Z
CD: 30S ribosomal protein S15
DD: 30S ribosomal protein S16
ED: 30S ribosomal protein S17
FD: 30S ribosomal protein S18
GD: 30S ribosomal protein S19
HD: 30S ribosomal protein S20
ID: 30S ribosomal protein Thx
hetero molecules


Theoretical massNumber of molelcules
Total (without water)4,575,4643015
Polymers4,504,496112
Non-polymers70,9682903
Water0
1
A: 16S ribosomal RNA
B: 25S ribosomal RNA
C: 5S ribosomal RNA
D: tRNA
E: 50S ribosomal protein L2
F: 50S ribosomal protein L3
G: 50S ribosomal protein L4
H: 50S ribosomal protein L5
I: 50S ribosomal protein L6
J: 50S ribosomal protein L9
K: 50S ribosomal protein L13
L: 50S ribosomal protein L14
M: 50S ribosomal protein L15
N: 50S ribosomal protein L16
O: 50S ribosomal protein L17
P: 50S ribosomal protein L18
Q: 50S ribosomal protein L19
R: 50S ribosomal protein L20
S: 50S ribosomal protein L21
T: 50S ribosomal protein L22
U: 50S ribosomal protein L23
V: 50S ribosomal protein L24
W: 50S ribosomal protein L25
X: 50S ribosomal protein L27
Y: 50S ribosomal protein L28
Z: 50S ribosomal protein L29
AA: 50S ribosomal protein L30
BA: 50S ribosomal protein L31
CA: 50S ribosomal protein L32
DA: 50S ribosomal protein L33
EA: 50S ribosomal protein L34
FA: 50S ribosomal protein L35
GA: 50S ribosomal protein L36
HA: mRNA
IA: tRNA
JA: Peptide chain release factor 1
KA: 30S ribosomal protein S2
LA: 30S ribosomal protein S3
MA: 30S ribosomal protein S4
NA: 30S ribosomal protein S5
OA: 30S ribosomal protein S6
PA: 30S ribosomal protein S7
QA: 30S ribosomal protein S8
RA: 30S ribosomal protein S9
SA: 30S ribosomal protein S10
TA: 30S ribosomal protein S11
UA: 30S ribosomal protein S12
VA: 30S ribosomal protein S13
WA: 30S ribosomal protein S14 type Z
XA: 30S ribosomal protein S15
YA: 30S ribosomal protein S16
ZA: 30S ribosomal protein S17
AB: 30S ribosomal protein S18
BB: 30S ribosomal protein S19
CB: 30S ribosomal protein S20
DB: 30S ribosomal protein Thx
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,289,2751571
Polymers2,252,24856
Non-polymers37,0281515
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
FB: 16S ribosomal RNA
GB: 25S ribosomal RNA
HB: 5S ribosomal RNA
IB: tRNA
JB: 50S ribosomal protein L2
KB: 50S ribosomal protein L3
LB: 50S ribosomal protein L4
MB: 50S ribosomal protein L5
NB: 50S ribosomal protein L6
OB: 50S ribosomal protein L9
PB: 50S ribosomal protein L13
QB: 50S ribosomal protein L14
RB: 50S ribosomal protein L15
SB: 50S ribosomal protein L16
TB: 50S ribosomal protein L17
UB: 50S ribosomal protein L18
VB: 50S ribosomal protein L19
WB: 50S ribosomal protein L20
XB: 50S ribosomal protein L21
YB: 50S ribosomal protein L22
ZB: 50S ribosomal protein L23
AC: 50S ribosomal protein L24
BC: 50S ribosomal protein L25
CC: 50S ribosomal protein L27
DC: 50S ribosomal protein L28
EC: 50S ribosomal protein L29
FC: 50S ribosomal protein L30
GC: 50S ribosomal protein L31
HC: 50S ribosomal protein L32
IC: 50S ribosomal protein L33
JC: 50S ribosomal protein L34
KC: 50S ribosomal protein L35
LC: 50S ribosomal protein L36
MC: mRNA
NC: tRNA
OC: Peptide chain release factor 1
PC: 30S ribosomal protein S2
QC: 30S ribosomal protein S3
RC: 30S ribosomal protein S4
SC: 30S ribosomal protein S5
TC: 30S ribosomal protein S6
UC: 30S ribosomal protein S7
VC: 30S ribosomal protein S8
WC: 30S ribosomal protein S9
XC: 30S ribosomal protein S10
YC: 30S ribosomal protein S11
ZC: 30S ribosomal protein S12
AD: 30S ribosomal protein S13
BD: 30S ribosomal protein S14 type Z
CD: 30S ribosomal protein S15
DD: 30S ribosomal protein S16
ED: 30S ribosomal protein S17
FD: 30S ribosomal protein S18
GD: 30S ribosomal protein S19
HD: 30S ribosomal protein S20
ID: 30S ribosomal protein Thx
hetero molecules


Theoretical massNumber of molelcules
Total (without water)2,286,1891444
Polymers2,252,24856
Non-polymers33,9411388
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)211.541, 454.397, 619.473
Angle α, β, γ (deg.)90.0, 90.0, 90.0
Int Tables number19
Space group name H-MP212121
Space group name HallP2ac2ab
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-ID
11
21
12
22
13
23
14
24
15
25
16
26
17
27
18
28
19
29
110
210
111
211
112
212
113
213
114
214
115
215
116
216
117
217

NCS domain segments:
Dom-IDComponent-IDEns-IDSelection details
111(chain GB or chain HB or chain JB or chain...
211(chain B or chain C or chain E or chain...
112chain GB and resid 1051:1108
212chain B and resid 1051:1108
113chain GB and resid 2093:2196
213chain B and resid 2093:2196
114(chain FB or chain PC or chain QC or chain...
214(chain A or chain KA or chain LA or chain...
115(chain FB and resid 925:1391) or chain QC or chain...
215(chain A and resid 925:1391) or chain LA or chain...
116chain OB
216chain J
117chain LB
217chain G
118chain RC
218chain MA
119chain BD
219chain WA
1110chain NC and resid 32:38
2110chain IA and resid 32:38
1111chain NC and resid 73:78
2111chain IA and resid 73:78
1112chain NC and not resi 32:38 and not resid 73:78
2112chain IA and not resi 32:38 and not resid 73:78
1113chain IB and resid 32:38
2113chain D and resid 32:38
1114chain IB and resid 73:78
2114chain D and resid 73:78
1115chain IB and not resid 32:38 and not resid 73:78
2115chain D and not resid 32:38 and not resid 73:78
1116chain MC
2116chain HA
1117chain OC
2117chain JA

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17

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Components

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RNA chain , 5 types, 12 molecules AFBBGBCHBDIAIBNCHAMC

#1: RNA chain 16S ribosomal RNA /


Mass: 489561.188 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB27 (bacteria) / References: GenBank: AE017221.1
#2: RNA chain 25S ribosomal RNA /


Mass: 936785.625 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB27 (bacteria) / References: GenBank: 46197919
#3: RNA chain 5S ribosomal RNA /


Mass: 38882.207 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Thermus thermophilus HB27 (bacteria) / References: GenBank: 46197919
#4: RNA chain
tRNA / Transfer RNA


Mass: 24846.902 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Source: (natural) Escherichia coli K-12 (bacteria) / References: GenBank: CP010445.1
#34: RNA chain mRNA / Messenger RNA


Mass: 8862.456 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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50S ribosomal protein ... , 29 types, 58 molecules EJBFKBGLBHMBINBJOBKPBLQBMRBNSBOTBPUBQVBRWBSXB...

#5: Protein 50S ribosomal protein L2 /


Mass: 30401.355 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I07
#6: Protein 50S ribosomal protein L3 /


Mass: 22450.213 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I04
#7: Protein 50S ribosomal protein L4 /


Mass: 22744.279 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I05
#8: Protein 50S ribosomal protein L5 /


Mass: 21075.623 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I16
#9: Protein 50S ribosomal protein L6 /


Mass: 19568.926 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I19
#10: Protein 50S ribosomal protein L9 /


Mass: 16436.205 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72GV5
#11: Protein 50S ribosomal protein L13 /


Mass: 15927.903 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72IN1
#12: Protein 50S ribosomal protein L14 /


Mass: 13309.586 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I14
#13: Protein 50S ribosomal protein L15 /


Mass: 16319.142 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I23
#14: Protein 50S ribosomal protein L16 /


Mass: 15977.909 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I11
#15: Protein 50S ribosomal protein L17 /


Mass: 13750.148 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I33
#16: Protein 50S ribosomal protein L18 /


Mass: 12639.845 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I20
#17: Protein 50S ribosomal protein L19 /


Mass: 17217.867 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72JU9
#18: Protein 50S ribosomal protein L20 /


Mass: 13779.275 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72L76
#19: Protein 50S ribosomal protein L21 /


Mass: 11069.153 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72HR2
#20: Protein 50S ribosomal protein L22 /


Mass: 12808.055 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I09
#21: Protein 50S ribosomal protein L23 /


Mass: 10759.808 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I06
#22: Protein 50S ribosomal protein L24 /


Mass: 12085.611 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I15
#23: Protein 50S ribosomal protein L25 / / General stress protein CTC


Mass: 23238.572 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72IA7
#24: Protein 50S ribosomal protein L27 /


Mass: 9529.074 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P60493
#25: Protein 50S ribosomal protein L28 /


Mass: 11032.174 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72G84
#26: Protein 50S ribosomal protein L29 /


Mass: 8670.258 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I12
#27: Protein 50S ribosomal protein L30 /


Mass: 6799.126 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I22
#28: Protein 50S ribosomal protein L31 /


Mass: 8300.543 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72JR0
#29: Protein 50S ribosomal protein L32 /


Mass: 6734.104 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62652
#30: Protein 50S ribosomal protein L33 /


Mass: 6632.896 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72GW3
#31: Protein/peptide 50S ribosomal protein L34 /


Mass: 6132.449 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)
Strain: HB8 / ATCC 27634 / DSM 579 / References: UniProt: P80340
#32: Protein 50S ribosomal protein L35 /


Mass: 7506.178 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72L77
#33: Protein/peptide 50S ribosomal protein L36 /


Mass: 4435.411 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: Q72I28

-
Protein , 1 types, 2 molecules JAOC

#35: Protein Peptide chain release factor 1 / RF-1


Mass: 41644.449 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (strain K12) (bacteria)
Strain: K12 / Gene: prfA, sueB, uar, b1211, JW1202 / Production host: Escherichia coli (E. coli) / References: UniProt: P0A7I0

-
30S ribosomal protein ... , 20 types, 40 molecules KAPCLAQCMARCNASCOATCPAUCQAVCRAWCSAXCTAYCUAZCVAADWABDXACDYADD...

#36: Protein 30S ribosomal protein S2 /


Mass: 29317.703 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62662
#37: Protein 30S ribosomal protein S3 /


Mass: 26751.076 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62663
#38: Protein 30S ribosomal protein S4 /


Mass: 24373.447 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62664
#39: Protein 30S ribosomal protein S5 /


Mass: 17583.416 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62665
#40: Protein 30S ribosomal protein S6 /


Mass: 11988.753 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62666
#41: Protein 30S ribosomal protein S7 /


Mass: 18050.973 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62667
#42: Protein 30S ribosomal protein S8 /


Mass: 15868.570 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62668
#43: Protein 30S ribosomal protein S9 /


Mass: 14429.661 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62669
#44: Protein 30S ribosomal protein S10 /


Mass: 11954.968 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62653
#45: Protein 30S ribosomal protein S11 /


Mass: 13737.868 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62654
#46: Protein 30S ribosomal protein S12 /


Mass: 14683.476 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P61941
#47: Protein 30S ribosomal protein S13 /


Mass: 14338.861 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62655
#48: Protein 30S ribosomal protein S14 type Z / Ribosome


Mass: 7158.725 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62656
#49: Protein 30S ribosomal protein S15 /


Mass: 10578.407 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62657
#50: Protein 30S ribosomal protein S16 /


Mass: 10409.983 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62238
#51: Protein 30S ribosomal protein S17 /


Mass: 12324.670 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62658
#52: Protein 30S ribosomal protein S18 /


Mass: 10258.299 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62659
#53: Protein 30S ribosomal protein S19 /


Mass: 10605.464 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62660
#54: Protein 30S ribosomal protein S20 /


Mass: 11722.116 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62661
#55: Protein/peptide 30S ribosomal protein Thx / Ribosome


Mass: 3350.030 Da / Num. of mol.: 2 / Source method: isolated from a natural source
Source: (natural) Thermus thermophilus (strain HB27 / ATCC BAA-163 / DSM 7039) (bacteria)
Strain: HB27 / ATCC BAA-163 / DSM 7039 / References: UniProt: P62613

-
Non-polymers , 2 types, 2903 molecules

#56: Chemical...
ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 2893 / Source method: obtained synthetically / Formula: Mg
#57: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: Zn

-
Experimental details

-
Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

-
Sample preparation

CrystalDensity Matthews: 3.3 Å3/Da / Density % sol: 62.78 %
Crystal growTemperature: 289 K / Method: vapor diffusion, hanging drop / pH: 7.5
Details: 3.1 uL 70S*mRNA*tRNAfMet complex + 3.1 uL crystallization buffer (0.1 M Tris-HCl, pH 7.5, 4% v/v PEG20000, 8% v/v MPD, 0.2 M potassium thiocyanate), reservoir: 300 uL 0.5-0.7 M sodium ...Details: 3.1 uL 70S*mRNA*tRNAfMet complex + 3.1 uL crystallization buffer (0.1 M Tris-HCl, pH 7.5, 4% v/v PEG20000, 8% v/v MPD, 0.2 M potassium thiocyanate), reservoir: 300 uL 0.5-0.7 M sodium chloride, 4-fold molar excess of E. coli release factor 1 added during complex formation

-
Data collection

Diffraction
IDMean temperature (K)Crystal-ID
11001
21001
31001
41001
51001
61001
71001
Diffraction source
SourceSiteBeamlineIDWavelength (Å)
SYNCHROTRONSSRL BL12-210.9795
SYNCHROTRONSSRL BL12-220.9795
SYNCHROTRONSSRL BL12-230.9795
SYNCHROTRONSSRL BL12-240.9795
SYNCHROTRONAPS 23-ID-D51.033
SYNCHROTRONAPS 23-ID-D61.033
SYNCHROTRONAPS 23-ID-D71.033
Detector
TypeIDDetectorDate
DECTRIS PILATUS 6M1PIXELJul 26, 2015
DECTRIS PILATUS 6M2PIXELJul 26, 2015
DECTRIS PILATUS 6M3PIXELJul 26, 2015
DECTRIS PILATUS 6M4PIXELJul 26, 2015
DECTRIS PILATUS3 6M5PIXELJul 1, 2015
DECTRIS PILATUS3 6M6PIXELJul 1, 2015
DECTRIS PILATUS3 6M7PIXELJul 1, 2015
Radiation
IDProtocolMonochromatic (M) / Laue (L)Scattering typeWavelength-ID
1SINGLE WAVELENGTHMx-ray1
2SINGLE WAVELENGTHMx-ray2
3SINGLE WAVELENGTHMx-ray3
4SINGLE WAVELENGTHMx-ray4
5SINGLE WAVELENGTHMx-ray5
6SINGLE WAVELENGTHMx-ray6
7SINGLE WAVELENGTHMx-ray7
Radiation wavelength
IDWavelength (Å)Relative weight
10.97951
21.0331
31
41
51
61
71
ReflectionResolution: 3.1→70 Å / Num. obs: 1174254 / % possible obs: 100 % / Redundancy: 37.4 % / Net I/σ(I): 8.28

-
Processing

Software
NameVersionClassification
PHENIX1.9_1692refinement
XDSdata reduction
XSCALEdata scaling
PHENIXphasing
Blu-Icedata collection
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.1→49.977 Å / SU ML: 0.47 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 25.75 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2563 21298 2 %
Rwork0.2214 --
obs0.2221 1064934 99.81 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 3.1→49.977 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms97108 201010 2903 0 301021
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.007323784
X-RAY DIFFRACTIONf_angle_d1.072483828
X-RAY DIFFRACTIONf_dihedral_angle_d18.944176114
X-RAY DIFFRACTIONf_chiral_restr0.04561172
X-RAY DIFFRACTIONf_plane_restr0.00526522
Refine LS restraints NCS
Ens-IDDom-IDNumberRefine-IDTypeRms dev position (Å)
1185821X-RAY DIFFRACTIONPOSITIONAL
1285821X-RAY DIFFRACTIONPOSITIONAL0.043
211241X-RAY DIFFRACTIONPOSITIONAL
221241X-RAY DIFFRACTIONPOSITIONAL0.02
312239X-RAY DIFFRACTIONPOSITIONAL
322239X-RAY DIFFRACTIONPOSITIONAL0.022
4132916X-RAY DIFFRACTIONPOSITIONAL
4232916X-RAY DIFFRACTIONPOSITIONAL0.037
5116395X-RAY DIFFRACTIONPOSITIONAL
5216395X-RAY DIFFRACTIONPOSITIONAL0.024
611137X-RAY DIFFRACTIONPOSITIONAL
621137X-RAY DIFFRACTIONPOSITIONAL0.057
711587X-RAY DIFFRACTIONPOSITIONAL
721587X-RAY DIFFRACTIONPOSITIONAL0.043
811703X-RAY DIFFRACTIONPOSITIONAL
821703X-RAY DIFFRACTIONPOSITIONAL0.034
91492X-RAY DIFFRACTIONPOSITIONAL
92492X-RAY DIFFRACTIONPOSITIONAL0.024
101147X-RAY DIFFRACTIONPOSITIONAL
102147X-RAY DIFFRACTIONPOSITIONAL0.029
11184X-RAY DIFFRACTIONPOSITIONAL
11284X-RAY DIFFRACTIONPOSITIONAL0.038
1211411X-RAY DIFFRACTIONPOSITIONAL
1221411X-RAY DIFFRACTIONPOSITIONAL0.031
131147X-RAY DIFFRACTIONPOSITIONAL
132147X-RAY DIFFRACTIONPOSITIONAL0.022
14184X-RAY DIFFRACTIONPOSITIONAL
14284X-RAY DIFFRACTIONPOSITIONAL0.032
1511411X-RAY DIFFRACTIONPOSITIONAL
1521411X-RAY DIFFRACTIONPOSITIONAL0.017
161220X-RAY DIFFRACTIONPOSITIONAL
162220X-RAY DIFFRACTIONPOSITIONAL0.027
1712006X-RAY DIFFRACTIONPOSITIONAL
1722006X-RAY DIFFRACTIONPOSITIONAL0.03
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
3.1-3.13520.37847070.36134661X-RAY DIFFRACTION100
3.1352-3.17210.37157070.348434600X-RAY DIFFRACTION100
3.1721-3.21080.37717060.340534669X-RAY DIFFRACTION100
3.2108-3.25140.35487080.329334654X-RAY DIFFRACTION100
3.2514-3.29420.34497060.320434605X-RAY DIFFRACTION100
3.2942-3.33930.35337070.310234655X-RAY DIFFRACTION100
3.3393-3.3870.33547070.302534651X-RAY DIFFRACTION100
3.387-3.43750.31737080.291934681X-RAY DIFFRACTION100
3.4375-3.49120.32687070.286934663X-RAY DIFFRACTION100
3.4912-3.54850.32667090.281734738X-RAY DIFFRACTION100
3.5485-3.60960.31837070.27634647X-RAY DIFFRACTION100
3.6096-3.67530.30297090.257434728X-RAY DIFFRACTION100
3.6753-3.74590.29647090.247834743X-RAY DIFFRACTION100
3.7459-3.82240.26977090.235534739X-RAY DIFFRACTION100
3.8224-3.90540.26377090.22534717X-RAY DIFFRACTION100
3.9054-3.99630.25627090.218234763X-RAY DIFFRACTION100
3.9963-4.09610.25237090.215234737X-RAY DIFFRACTION100
4.0961-4.20680.2447100.208734785X-RAY DIFFRACTION100
4.2068-4.33060.23847110.200934849X-RAY DIFFRACTION100
4.3306-4.47030.24637100.200934776X-RAY DIFFRACTION100
4.4703-4.62990.22017110.190634831X-RAY DIFFRACTION100
4.6299-4.81520.23627120.189934924X-RAY DIFFRACTION100
4.8152-5.03410.22727130.184734898X-RAY DIFFRACTION100
5.0341-5.29920.21527120.173434901X-RAY DIFFRACTION100
5.2992-5.63080.2127130.167634954X-RAY DIFFRACTION100
5.6308-6.06490.22277140.174835012X-RAY DIFFRACTION100
6.0649-6.6740.2257170.183235124X-RAY DIFFRACTION100
6.674-7.63680.21087180.179635191X-RAY DIFFRACTION100
7.6368-9.61030.2117230.192835444X-RAY DIFFRACTION100
9.6103-49.98330.21837010.207134296X-RAY DIFFRACTION95
Refinement TLS params.

Method: refined / Refine-ID: X-RAY DIFFRACTION

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.2616-0.02290.07250.24520.00630.2671-0.00980.00750.00890.02790.01660.0180.01810.0013-00.4017-0.028-0.01740.47050.05240.492974.8261-57.2403-21.7109
20.216-0.06670.05210.38450.07260.3892-0.0113-0.04590.03280.06590.0607-0.09690.0134-0.0424-00.6015-0.0238-0.12440.6273-0.05030.5729194.7959-91.9116-142.3447
30.05480.0487-0.00750.0778-0.04280.0149-0.09070.08930.5858-0.4344-0.1922-0.5145-0.36180.3156-0.00041.5308-0.19370.2811.37030.30471.9912105.33821.974-83.7204
40.0822-0.05830.02960.02120.00190.08730.02560.57320.2388-0.53710.2210.3686-0.0639-0.56750.00012.03040.1303-0.37212.00440.2031.5555158.8176-33.0434-221.9518
50.05070.01920.01280.03710.03380.05460.0729-0.07830.44240.08040.0516-0.0831-0.2743-0.03-0.00011.869-0.146-0.31911.9966-0.25462.1997149.5937-48.824256.319
60.08190.01410.04720.092-0.00640.060.04630.11070.0551-0.0192-0.01010.01840.16510.03160.00022.5091-0.23840.04582.7966-0.30992.8311120.9554-171.128-143.032
70.7446-0.0118-0.15030.18960.17940.6140.0197-0.12440.18720.05870.0582-0.2379-0.37280.63150.0061.0828-0.542-0.1921.2529-0.14121.4581149.399645.20027.2652
80.8474-0.129-0.05930.52150.15360.14280.0985-0.0373-0.174-0.3875-0.14420.59170.0274-0.2549-0.00121.1317-0.0297-0.60161.2233-0.14031.371114.1231-125.5621-238.2723
90.25830.00010.07620.37550.1070.3725-0.0812-0.2040.19560.31060.02530.0424-0.2008-0.1230.00020.99530.1305-0.110.6969-0.20070.880467.947616.537742.5323
100.171-0.0101-0.0230.52520.11120.22970.01990.0753-0.096-0.12830.0173-0.11830.08530.022500.9305-0.0584-0.10560.6767-0.10870.6891198.0793-158.5887-214.2046
110.1208-0.0420.07060.14490.12360.1851-0.0401-0.00010.1894-0.0004-0.0750.0729-0.1254-0.011400.47950.0361-0.0830.44270.05330.647953.1704-5.368-32.7155
120.1343-0.05850.0530.09510.03410.09-0.0531-0.1458-0.05480.26120.09490.06220.151-0.0051-00.71540.0260.00070.64660.0990.526271.4853-81.531841.7472
130.26540.16850.06870.1452-0.050.1418-0.01610.1914-0.1802-0.25990.0503-0.04170.06650.1078-0.00020.57630.0296-0.04430.6046-0.08090.575579.4675-97.909-69.6897
140.06730.0106-0.02790.07450.0460.09620.0584-0.03440.24130.02350.05920.0753-0.18110.0178-00.5808-0.1301-0.03171.1820.05841.2015175.7534-13.4043-34.0768
150.12530.00470.06310.1052-0.08950.1152-0.032-0.0434-0.14760.1021-0.0725-0.0655-0.0396-0.1605-00.8760.1645-0.11440.62010.01680.6951126.9302-80.348457.3793
160.0104-0.01440.00820.0103-0.01830.02650.09640.11230.0028-0.1662-0.07240.07440.01260.0193-01.23530.1648-0.07220.85550.14090.69748.16199.0902-107.9211
170.0365-0.03540.00160.03730.01810.0281-0.0632-0.2699-0.14890.1791-0.0270.01770.2203-0.08780.00010.66560.0752-0.08210.52650.06620.6175104.2166-104.352821.4816
180.0380.0288-0.01630.02880.01540.0410.0656-0.15050.12070.2184-0.05210.0266-0.20090.034500.74140.03070.01210.7102-0.02660.482974.7401-37.761846.1154
190.1339-0.07670.08110.0454-0.0380.03950.02760.3389-0.0637-0.2438-0.01080.02140.18840.2566-0.00010.60170.05780.01660.846-0.01280.5953105.4711-72.1008-72.1534
200.05320.0067-0.0680.0777-0.01770.0860.0317-0.03660.16770.1602-0.0378-0.1026-0.01590.15140.00010.4894-0.0225-0.08810.7574-0.03290.6645140.2406-52.11684.7235
210.0201-0.0158-0.00440.0167-0.0030.0509-0.0391-0.27-0.12570.31640.08650.1820.0141-0.16880.00030.5539-0.03060.1720.7870.22840.650131.6878-76.789725.7427
220.0301-0.0272-0.00170.0212-0.00040.01030.02680.1297-0.0808-0.2082-0.0076-0.07820.03090.0305-0.00010.49080.02270.08981.23010.12910.8936173.0128-48.819-58.6227
230.0878-0.02080.02430.15010.01680.0256-0.0969-0.2389-0.03090.29670.09710.1146-0.1451-0.38450.00020.8480.04880.15560.8872-0.00310.548450.2252-50.680957.0122
240.0596-0.0043-0.0880.10980.02780.1334-0.03540.0068-0.00090.16320.022-0.06470.10120.1435-00.57970.099-0.0290.46190.03480.5694103.3658-109.4573-9.3
250.01840.0367-0.00870.0542-0.02270.02220.1189-0.0379-0.17830.00210.0519-0.05670.25240.0909-0.00030.62030.1584-0.14130.5069-0.01190.7701108.0054-122.9727-18.6045
260.1301-0.0798-0.02970.05290.03790.11130.0414-0.0586-0.05390.07180.03760.00160.1889-0.1353-00.5334-0.0981-0.03320.48410.14070.573949.4441-99.7288-5.8623
270.0180.0112-0.02170.0747-0.00780.065-0.002-0.0079-0.0864-0.00730.04940.23520.24780.0018-00.4289-0.1026-0.06840.65470.04280.775212.8627-66.0503-37.85
280.1137-0.01330.04670.07290.00890.0189-0.05210.0442-0.1236-0.008-0.04880.2358-0.0812-0.23090.00010.6898-0.1609-0.15310.68410.05780.712135.022-110.4177-56.9512
290.11420.08520.03370.0957-0.0360.1135-0.0792-0.25650.12630.0597-0.0064-0.2299-0.15720.2958-00.61770.0621-0.24551.0327-0.00561.0055166.1729-62.05825.392
300.17120.14310.11710.26050.00760.13070.1302-0.19870.03480.1322-0.11420.12780.19140.08810.00120.4246-0.04270.01980.94080.0060.6494141.6183-58.6174-40.5955
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1160.002-0.00140.00210.0012-0.00140.00120.0179-0.02990.0250.0195-0.00910.01080.01370.0037-00.9531-0.1564-0.15850.8956-0.04850.8698143.2313-116.0842-218.1487
1170.01190.02680.01860.03380.02590.0132-0.11550.06650.1459-0.20320.1373-0.16550.08950.136201.7486-0.2692-0.08761.37480.08831.9308120.86445.3927-52.6338
1180.0065-0.00150.00040.0046-0.00250.0048-0.0044-0.02090.01520.0224-0.0022-0.0133-0.0104-0.00360.00011.62390.0232-0.04171.7976-0.07051.9283117.913624.9535-21.2552
1190.0029-0.0019-0.00290.0036-0.00170.0038-0.0179-0.02190.09880.0099-0.0340.061-0.0218-0.0202-0.00020.96710.04690.08810.80450.00590.8677105.0138-29.5528-53.4394
1200.0566-0.01870.00180.02390.03420.02650.00610.11950.15860.06570.01910.1611-0.12730.003701.73420.0026-0.29841.9541-0.02941.5134144.4515-63.7606-203.2075
1210.0066-0.0021-0.00020.00430.00060.0214-0.01380.0298-0.0068-0.0122-0.0138-0.00590.00740.01590.00011.03790.0612-0.06461.1605-0.05920.8369162.134-61.6009-169.0267
1220.0042-0.0011-0.00080.0056-0.00360.0030.00280.01120.0007-0.0179-0.00860.02680.0167-0.0133-0.00011.85840.1332-0.00711.9133-0.1841.9053146.5724-95.9451-221.3754
1230.0589-0.0292-0.02160.05220.020.010.0275-0.01170.1255-0.0912-0.0238-0.1388-0.0953-0.001200.90960.0093-0.18991.0067-0.14531.2177112.192324.49236.3363
1240.0613-0.021-0.01850.0110.02170.0671-0.04680.0732-0.1123-0.0750.03680.0149-0.039-0.0538-0.00021.1099-0.0226-0.1151.1106-0.18931.1922152.7017-123.5736-220.3854
1250.06610.0565-0.01370.08920.0530.0294-0.0506-0.12160.05730.217-0.0076-0.2899-0.07370.071201.0106-0.0224-0.31680.9721-0.12911.1547122.6093-7.486620.6216
1260.0558-0.060.01160.10270.06680.0791-0.0306-0.0721-0.14440.1035-0.00490.19240.2385-0.2855-01.2457-0.1368-0.10031.2981-0.06251.2729144.754-136.9389-187.2196
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain B and not resid 2094:2190 and not resid 1050:1104)
2X-RAY DIFFRACTION2(chain GB and not resid 2094:2190 and not resid 1050:1104)
3X-RAY DIFFRACTION3(chain B and resid 2094:2190)
4X-RAY DIFFRACTION4(chain GB and resid 2094:2190)
5X-RAY DIFFRACTION5(chain B and resid 1050:1104)
6X-RAY DIFFRACTION6(chain GB and resid 1050:1104)
7X-RAY DIFFRACTION7((chain A and resid 925:1391))
8X-RAY DIFFRACTION8((chain FB and resid 925:1391))
9X-RAY DIFFRACTION9(chain A and not resid 925:1391)
10X-RAY DIFFRACTION10(chain FB and not resid 925:1391)
11X-RAY DIFFRACTION11(chain E)
12X-RAY DIFFRACTION12(chain F)
13X-RAY DIFFRACTION13(chain G)
14X-RAY DIFFRACTION14(chain H)
15X-RAY DIFFRACTION15(chain I)
16X-RAY DIFFRACTION16(chain J)
17X-RAY DIFFRACTION17(chain K)
18X-RAY DIFFRACTION18(chain L)
19X-RAY DIFFRACTION19(chain M)
20X-RAY DIFFRACTION20(chain N)
21X-RAY DIFFRACTION21(chain O)
22X-RAY DIFFRACTION22(chain P)
23X-RAY DIFFRACTION23(chain Q)
24X-RAY DIFFRACTION24(chain R)
25X-RAY DIFFRACTION25(chain S)
26X-RAY DIFFRACTION26(chain T)
27X-RAY DIFFRACTION27(chain U)
28X-RAY DIFFRACTION28(chain V)
29X-RAY DIFFRACTION29(chain W)
30X-RAY DIFFRACTION30(chain X)
31X-RAY DIFFRACTION31(chain Y)
32X-RAY DIFFRACTION32(chain Z)
33X-RAY DIFFRACTION33(chain AA)
34X-RAY DIFFRACTION34(chain BA)
35X-RAY DIFFRACTION35(chain CA)
36X-RAY DIFFRACTION36(chain DA)
37X-RAY DIFFRACTION37(chain EA)
38X-RAY DIFFRACTION38(chain FA)
39X-RAY DIFFRACTION39(chain GA)
40X-RAY DIFFRACTION40(chain KA)
41X-RAY DIFFRACTION41(chain LA)
42X-RAY DIFFRACTION42(chain MA)
43X-RAY DIFFRACTION43(chain NA)
44X-RAY DIFFRACTION44(chain OA)
45X-RAY DIFFRACTION45(chain PA)
46X-RAY DIFFRACTION46(chain QA)
47X-RAY DIFFRACTION47(chain RA)
48X-RAY DIFFRACTION48(chain SA)
49X-RAY DIFFRACTION49(chain TA)
50X-RAY DIFFRACTION50(chain UA)
51X-RAY DIFFRACTION51(chain VA)
52X-RAY DIFFRACTION52(chain WA)
53X-RAY DIFFRACTION53(chain XA)
54X-RAY DIFFRACTION54(chain YA)
55X-RAY DIFFRACTION55(chain ZA)
56X-RAY DIFFRACTION56(chain AB)
57X-RAY DIFFRACTION57(chain BB)
58X-RAY DIFFRACTION58(chain CB)
59X-RAY DIFFRACTION59(chain DB)
60X-RAY DIFFRACTION60(chain JB)
61X-RAY DIFFRACTION61(chain KB)
62X-RAY DIFFRACTION62(chain LB)
63X-RAY DIFFRACTION63(chain MB)
64X-RAY DIFFRACTION64(chain NB)
65X-RAY DIFFRACTION65(chain OB)
66X-RAY DIFFRACTION66(chain PB)
67X-RAY DIFFRACTION67(chain QB)
68X-RAY DIFFRACTION68(chain RB)
69X-RAY DIFFRACTION69(chain SB)
70X-RAY DIFFRACTION70(chain TB)
71X-RAY DIFFRACTION71(chain UB)
72X-RAY DIFFRACTION72(chain VB)
73X-RAY DIFFRACTION73(chain WB)
74X-RAY DIFFRACTION74(chain XB)
75X-RAY DIFFRACTION75(chain YB)
76X-RAY DIFFRACTION76(chain ZB)
77X-RAY DIFFRACTION77(chain AC)
78X-RAY DIFFRACTION78(chain BC)
79X-RAY DIFFRACTION79(chain CC)
80X-RAY DIFFRACTION80(chain DC)
81X-RAY DIFFRACTION81(chain EC)
82X-RAY DIFFRACTION82(chain FC)
83X-RAY DIFFRACTION83(chain GC)
84X-RAY DIFFRACTION84(chain HC)
85X-RAY DIFFRACTION85(chain IC)
86X-RAY DIFFRACTION86(chain JC)
87X-RAY DIFFRACTION87(chain KC)
88X-RAY DIFFRACTION88(chain LC)
89X-RAY DIFFRACTION89(chain PC)
90X-RAY DIFFRACTION90(chain QC)
91X-RAY DIFFRACTION91(chain RC)
92X-RAY DIFFRACTION92(chain SC)
93X-RAY DIFFRACTION93(chain TC)
94X-RAY DIFFRACTION94(chain UC)
95X-RAY DIFFRACTION95(chain VC)
96X-RAY DIFFRACTION96(chain WC)
97X-RAY DIFFRACTION97(chain XC)
98X-RAY DIFFRACTION98(chain YC)
99X-RAY DIFFRACTION99(chain ZC)
100X-RAY DIFFRACTION100(chain AD)
101X-RAY DIFFRACTION101(chain BD)
102X-RAY DIFFRACTION102(chain CD)
103X-RAY DIFFRACTION103(chain DD)
104X-RAY DIFFRACTION104(chain ED)
105X-RAY DIFFRACTION105(chain FD)
106X-RAY DIFFRACTION106(chain GD)
107X-RAY DIFFRACTION107(chain HD)
108X-RAY DIFFRACTION108(chain ID)
109X-RAY DIFFRACTION109(chain C)
110X-RAY DIFFRACTION110(chain IA and not resid 32:38 and not resid 73:76)
111X-RAY DIFFRACTION111(chain IA and resid 32:38)
112X-RAY DIFFRACTION112(chain IA and resid 73:76)
113X-RAY DIFFRACTION113(chain HB)
114X-RAY DIFFRACTION114(chain NC and not resid 32:38 and not resid 73:76)
115X-RAY DIFFRACTION115(chain NC and resid 73:76)
116X-RAY DIFFRACTION116(chain NC and resid 32:38)
117X-RAY DIFFRACTION117(chain D and not resid 32:38 and not resid 73:76)
118X-RAY DIFFRACTION118(chain D and resid 32:38)
119X-RAY DIFFRACTION119(chain D and resid 73:76)
120X-RAY DIFFRACTION120(chain IB and not resid 32:38 and not resid 73:76)
121X-RAY DIFFRACTION121(chain IB and resid 73:76)
122X-RAY DIFFRACTION122(chain IB and resid 32:38)
123X-RAY DIFFRACTION123(chain HA)
124X-RAY DIFFRACTION124(chain MC)
125X-RAY DIFFRACTION125(chain JA)
126X-RAY DIFFRACTION126(chain OC)

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