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- PDB-4ylo: E. coli Transcription Initiation Complex - 16-bp spacer and 4-nt RNA -

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Basic information

Entry
Database: PDB / ID: 4ylo
TitleE. coli Transcription Initiation Complex - 16-bp spacer and 4-nt RNA
Components
  • (DNA-directed RNA polymerase subunit ...Polymerase) x 4
  • NT strand DNA (49-MER)
  • RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')
  • RNA polymerase sigma factor RpoD
  • T strand DNA (49-MER)
KeywordsTRANSCRIPTION/DNA/RNA / RNA Polymerase / Initiation Complex / DNA Bubble / TRANSCRIPTION-DNA-RNA complex
Function / homology
Function and homology information


transcription initiation from bacterial-type RNA polymerase promoter / sigma factor activity / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / response to heat / protein dimerization activity / transcription, DNA-templated / response to antibiotic / DNA-binding transcription factor activity ...transcription initiation from bacterial-type RNA polymerase promoter / sigma factor activity / ribonucleoside binding / DNA-directed 5'-3' RNA polymerase activity / DNA-directed RNA polymerase / response to heat / protein dimerization activity / transcription, DNA-templated / response to antibiotic / DNA-binding transcription factor activity / DNA binding / membrane / metal ion binding / cytosol / cytoplasm
RNA polymerase sigma factor, region 2 / RNA polymerase Rpb2, OB-fold / RNA polymerase, RBP11-like subunit / Winged helix-like DNA-binding domain superfamily / RPB6/omega subunit-like superfamily / RNA polymerase sigma factor RpoD / DNA-directed RNA polymerase, beta subunit, external 1 domain / DNA-directed RNA polymerase, subunit 2 / RNA polymerase sigma-70 like domain / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain superfamily ...RNA polymerase sigma factor, region 2 / RNA polymerase Rpb2, OB-fold / RNA polymerase, RBP11-like subunit / Winged helix-like DNA-binding domain superfamily / RPB6/omega subunit-like superfamily / RNA polymerase sigma factor RpoD / DNA-directed RNA polymerase, beta subunit, external 1 domain / DNA-directed RNA polymerase, subunit 2 / RNA polymerase sigma-70 like domain / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain superfamily / RNA polymerase sigma factor, region 3/4-like / RNA polymerase sigma factor RpoD, C-terminal / DNA-directed RNA polymerase, subunit beta-prime / RNA polymerase subunit, RPB6/omega / DNA-directed RNA polymerase, alpha subunit / DNA-directed RNA polymerase, RpoA/D/Rpb3-type / DNA-directed RNA polymerase, insert domain superfamily / RNA polymerase Rpb2, domain 2 superfamily / RNA polymerase, alpha subunit, C-terminal / RNA polymerase Rpb3/Rpb11 dimerisation domain / Sigma-70, non-essential region / Sigma-70, region 4 / Sigma-70 region 2 / Sigma-70 region 3 / Sigma-70 factor, region 1.1 / Bacterial RNA polymerase, alpha chain C terminal domain / RNA polymerase Rpb6 / RNA polymerase Rpb1, funnel domain superfamily / RNA polymerase Rpb3/RpoA insert domain / RNA polymerase Rpb1, domain 2 / RNA polymerase Rpb2, domain 6 / Sigma-70 factor, region 1.2 / Sigma-70 factor, region 1.1 superfamily / RNA polymerase Rpb1, domain 3 superfamily / DNA-directed RNA polymerase, insert domain / DNA-directed RNA polymerase beta subunit, bacterial-type / RNA polymerase Rpb2, domain 2 / RNA polymerase sigma-70 region 1.2 / RNA polymerases beta chain signature. / Sigma-70 factors family signature 2. / Sigma-70 factors family signature 1. / RNA polymerase beta subunit external 1 domain / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 5 / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb2, domain 3 / RNA polymerase beta subunit / RNA polymerase, alpha subunit / RNA polymerase sigma-70 / DNA-directed RNA polymerase, omega subunit / RNA polymerase, subunit omega/K/RPB6 / RNA polymerase, N-terminal / RNA polymerase Rpb1, domain 3 / RNA polymerase Rpb1, domain 1 / RNA polymerase Rpb2, domain 3 / RNA polymerase, beta subunit, protrusion / RNA polymerase Rpb2, domain 2 / RNA polymerase Rpb2, domain 7 / RNA polymerase sigma factor 70, non-essential domain / RNA polymerase sigma-70 region 4 / RNA polymerase sigma-70 region 2 / RNA polymerase Rpb2, domain 7 / RNA polymerase sigma-70 region 3 / RNA polymerase sigma factor 70, region 1.1 / RNA polymerase, beta subunit, conserved site / DNA-directed RNA polymerase, subunit 2, hybrid-binding domain / RNA polymerase Rpb1, domain 4 / RNA polymerase Rpb1, domain 5
DNA-directed RNA polymerase subunit alpha / DNA-directed RNA polymerase subunit omega / DNA-directed RNA polymerase subunit beta / DNA-directed RNA polymerase subunit beta' / RNA polymerase sigma factor RpoD / DNA-directed RNA polymerase subunit beta'
Biological speciesEscherichia coli (E. coli)
synthetic construct (others)
MethodX-RAY DIFFRACTION / SYNCHROTRON / Resolution: 6 Å
AuthorsZuo, Y. / Steitz, T.A.
Funding support United States, 1items
OrganizationGrant numberCountry
National Institutes of Health/National Institute of General Medical SciencesGM057510 United States
CitationJournal: Mol.Cell / Year: 2015
Title: Crystal Structures of the E. coli Transcription Initiation Complexes with a Complete Bubble.
Authors: Zuo, Y. / Steitz, T.A.
Validation Report
SummaryFull reportAbout validation report
History
DepositionMar 5, 2015Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 22, 2015Provider: repository / Type: Initial release
Revision 1.1Apr 29, 2015Group: Database references
Revision 1.2May 20, 2015Group: Database references
Revision 1.3Sep 6, 2017Group: Author supporting evidence / Database references ...Author supporting evidence / Database references / Derived calculations / Source and taxonomy
Category: citation / entity_src_gen ...citation / entity_src_gen / pdbx_audit_support / pdbx_entity_src_syn / pdbx_struct_oper_list
Item: _citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag ..._citation.journal_id_CSD / _entity_src_gen.pdbx_alt_source_flag / _pdbx_audit_support.funding_organization / _pdbx_entity_src_syn.pdbx_alt_source_flag / _pdbx_struct_oper_list.symmetry_operation

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: DNA-directed RNA polymerase subunit alpha
B: DNA-directed RNA polymerase subunit alpha
C: DNA-directed RNA polymerase subunit beta
D: DNA-directed RNA polymerase subunit beta'
E: DNA-directed RNA polymerase subunit omega
F: RNA polymerase sigma factor RpoD
1: NT strand DNA (49-MER)
2: T strand DNA (49-MER)
3: RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')
G: DNA-directed RNA polymerase subunit alpha
H: DNA-directed RNA polymerase subunit alpha
I: DNA-directed RNA polymerase subunit beta
J: DNA-directed RNA polymerase subunit beta'
K: DNA-directed RNA polymerase subunit omega
L: RNA polymerase sigma factor RpoD
4: NT strand DNA (49-MER)
5: T strand DNA (49-MER)
6: RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')
M: DNA-directed RNA polymerase subunit alpha
N: DNA-directed RNA polymerase subunit alpha
O: DNA-directed RNA polymerase subunit beta
P: DNA-directed RNA polymerase subunit beta'
Q: DNA-directed RNA polymerase subunit omega
R: RNA polymerase sigma factor RpoD
7: NT strand DNA (49-MER)
8: T strand DNA (49-MER)
9: RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)1,422,49736
Polymers1,422,03227
Non-polymers4659
Water0
1
A: DNA-directed RNA polymerase subunit alpha
B: DNA-directed RNA polymerase subunit alpha
C: DNA-directed RNA polymerase subunit beta
D: DNA-directed RNA polymerase subunit beta'
E: DNA-directed RNA polymerase subunit omega
F: RNA polymerase sigma factor RpoD
1: NT strand DNA (49-MER)
2: T strand DNA (49-MER)
3: RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)474,16612
Polymers474,0119
Non-polymers1553
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area57420 Å2
ΔGint-250 kcal/mol
Surface area185300 Å2
MethodPISA
2
G: DNA-directed RNA polymerase subunit alpha
H: DNA-directed RNA polymerase subunit alpha
I: DNA-directed RNA polymerase subunit beta
J: DNA-directed RNA polymerase subunit beta'
K: DNA-directed RNA polymerase subunit omega
L: RNA polymerase sigma factor RpoD
4: NT strand DNA (49-MER)
5: T strand DNA (49-MER)
6: RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)474,16612
Polymers474,0119
Non-polymers1553
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area58860 Å2
ΔGint-263 kcal/mol
Surface area183470 Å2
MethodPISA
3
M: DNA-directed RNA polymerase subunit alpha
N: DNA-directed RNA polymerase subunit alpha
O: DNA-directed RNA polymerase subunit beta
P: DNA-directed RNA polymerase subunit beta'
Q: DNA-directed RNA polymerase subunit omega
R: RNA polymerase sigma factor RpoD
7: NT strand DNA (49-MER)
8: T strand DNA (49-MER)
9: RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')
hetero molecules


Theoretical massNumber of molelcules
Total (without water)474,16612
Polymers474,0119
Non-polymers1553
Water0
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area58060 Å2
ΔGint-254 kcal/mol
Surface area181960 Å2
MethodPISA
Unit cell
γ
α
β
Length a, b, c (Å)240.888, 208.174, 256.323
Angle α, β, γ (deg.)90.00, 119.31, 90.00
Int Tables number4
Space group name H-MP1211
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22G
13A
23H
14A
24M
15A
25N
16B
26G
17B
27H
18B
28M
19B
29N
110C
210I
111C
211O
112D
212J
113D
213P
114E
214K
115E
215Q
116F
216L
117F
217R
1181
2184
1191
2197
1202
2205
1212
2218
122G
222H
123G
223M
124G
224N
125H
225M
126H
226N
127I
227O
128J
228P
129K
229Q
130L
230R
1314
2317
1325
2328
133M
233N

NCS domain segments:

Component-ID: 0 / Refine code: 0

Dom-IDEns-IDAuth asym-IDAuth seq-ID
11A6 - 232
21B6 - 232
12A6 - 235
22G6 - 235
13A6 - 232
23H6 - 232
14A6 - 235
24M6 - 235
15A6 - 232
25N6 - 232
16B6 - 232
26G6 - 232
17B6 - 233
27H6 - 233
18B6 - 232
28M6 - 232
19B6 - 233
29N6 - 233
110C2 - 1342
210I2 - 1342
111C2 - 1342
211O2 - 1342
112D15 - 1376
212J15 - 1376
113D15 - 1376
213P15 - 1376
114E2 - 91
214K2 - 91
115E2 - 91
215Q2 - 91
116F79 - 613
216L79 - 613
117F79 - 613
217R79 - 613
118112 - 60
218412 - 60
119112 - 60
219712 - 60
12023 - 51
22053 - 51
12123 - 51
22183 - 51
122G6 - 232
222H6 - 232
123G6 - 235
223M6 - 235
124G6 - 232
224N6 - 232
125H6 - 232
225M6 - 232
126H6 - 233
226N6 - 233
127I2 - 1342
227O2 - 1342
128J15 - 1376
228P15 - 1376
129K2 - 91
229Q2 - 91
130L79 - 613
230R79 - 613
131412 - 60
231712 - 60
13253 - 51
23283 - 51
133M6 - 232
233N6 - 232

NCS ensembles:
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33

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Components

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DNA-directed RNA polymerase subunit ... , 4 types, 15 molecules ABGHMNCIODJPEKQ

#1: Protein/peptide
DNA-directed RNA polymerase subunit alpha / Polymerase / RNAP subunit alpha / RNA polymerase subunit alpha / Transcriptase subunit alpha


Mass: 26899.572 Da / Num. of mol.: 6 / Fragment: N-terminal domain (UNP residues 1-235)
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoA, EcE24377A_3778 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A7ZSI4, DNA-directed RNA polymerase
#2: Protein/peptide DNA-directed RNA polymerase subunit beta / Polymerase / RNAP subunit beta / RNA polymerase subunit beta / Transcriptase subunit beta


Mass: 150820.875 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoB, EcE24377A_4528 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A7ZUK1, DNA-directed RNA polymerase
#3: Protein/peptide DNA-directed RNA polymerase subunit beta' / Polymerase / RNAP subunit beta' / RNA polymerase subunit beta' / Transcriptase subunit beta'


Mass: 155366.781 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoC, EcE24377A_4529 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: A7ZUK2, UniProt: P0A8T7*PLUS, DNA-directed RNA polymerase
#4: Protein/peptide DNA-directed RNA polymerase subunit omega / Polymerase / RNAP omega subunit / RNA polymerase omega subunit / Transcriptase subunit omega


Mass: 10118.352 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoZ, EcE24377A_4152 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A7ZTK1, DNA-directed RNA polymerase

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DNA chain , 2 types, 6 molecules 147258

#6: DNA chain NT strand DNA (49-MER)


Mass: 15024.630 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)
#7: DNA chain T strand DNA (49-MER)


Mass: 15233.764 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Protein/peptide / RNA chain , 2 types, 6 molecules FLR369

#5: Protein/peptide RNA polymerase sigma factor RpoD / Sigma-70


Mass: 72206.266 Da / Num. of mol.: 3
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Escherichia coli (E. coli) / Gene: rpoD, alt, b3067, JW3039 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P00579
#8: RNA chain RNA (5'-D(*(GTP))-R(P*AP*GP*U)-3')


Mass: 1440.785 Da / Num. of mol.: 3 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

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Non-polymers , 2 types, 9 molecules

#9: Chemical ChemComp-MG / MAGNESIUM ION


Mass: 24.305 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: Mg / Magnesium
#10: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: Zn / Zinc

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION

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Sample preparation

CrystalDensity Matthews: 3.94 Å3/Da / Density % sol: 68.79 %
Crystal growTemperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7
Details: 7% PEG3350, 150 mM magnesium chloride, 100 mM HEPES sodium, pH 7.0

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: NSLS / Beamline: X25 / Wavelength: 1.1 Å
DetectorType: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 21, 2014
RadiationMonochromator: double crystal Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.1 Å / Relative weight: 1
ReflectionResolution: 6→40 Å / Num. obs: 55356 / % possible obs: 99.9 % / Redundancy: 5.1 % / Net I/σ(I): 13.4

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Processing

Software
NameVersionClassification
REFMAC5.8.0073refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementResolution: 6→39.95 Å / Cor.coef. Fo:Fc: 0.933 / Cor.coef. Fo:Fc free: 0.883 / SU B: 837.557 / SU ML: 3.274 / Cross valid method: THROUGHOUT / ESU R Free: 2.584 / Stereochemistry target values: MAXIMUM LIKELIHOOD
RfactorNum. reflection% reflectionSelection details
Rfree0.31429 2938 5.3 %RANDOM
Rwork0.22687 ---
Obs0.23151 52375 99.6 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 238.425 Å2
Baniso -1Baniso -2Baniso -3
1-1.28 Å20 Å2-1.28 Å2
2--1.6 Å20 Å2
3----0.89 Å2
Refinement stepCycle: LAST / Resolution: 6→39.95 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms88284 6315 9 0 94608
Refine LS restraints

Refinement-ID: X-RAY DIFFRACTION

TypeDev idealDev ideal targetNumber
r_bond_refined_d0.0120.01996649
r_bond_other_d
r_angle_refined_deg1.6111.914131800
r_angle_other_deg
r_dihedral_angle_1_deg6.637511223
r_dihedral_angle_2_deg27.49124.1074215
r_dihedral_angle_3_deg21.9511516674
r_dihedral_angle_4_deg17.12315831
r_chiral_restr0.1170.214700
r_gen_planes_refined0.0070.02170245
r_gen_planes_other
r_nbd_refined
r_nbd_other
r_nbtor_refined
r_nbtor_other
r_xyhbond_nbd_refined
r_xyhbond_nbd_other
r_metal_ion_refined
r_metal_ion_other
r_symmetry_vdw_refined
r_symmetry_vdw_other
r_symmetry_hbond_refined
r_symmetry_hbond_other
r_symmetry_metal_ion_refined
r_symmetry_metal_ion_other
r_mcbond_it
r_mcbond_other
r_mcangle_it
r_mcangle_other
r_scbond_it
r_scbond_other
r_scangle_it
r_scangle_other
r_long_range_B_refined
r_long_range_B_other
r_rigid_bond_restr
r_sphericity_free
r_sphericity_bonded
Refine LS restraints NCS

Refinement-ID: X-RAY DIFFRACTION / Type: interatomic distance / Weight position: 0.05

Ens-IDDom-IDAuth asym-IDNumberRms dev position (Å)
11A2370.14
12B2370.14
21A2650.16
22G2650.16
31A2350.16
32H2350.16
41A2690.17
42M2690.17
51A2460.18
52N2460.18
61B2370.17
62G2370.17
71B2520.11
72H2520.11
81B2390.18
82M2390.18
91B2610.13
92N2610.13
101C16700.14
102I16700.14
111C16860.14
112O16860.14
121D16870.15
122J16870.15
131D16670.14
132P16670.14
141E1020.15
142K1020.15
151E1020.12
152Q1020.12
161F6410.11
162L6410.11
171F6430.12
172R6430.12
18112170.16
18242170.16
19112220.12
19272220.12
20122070.1
20252070.1
21122110.12
21282110.12
221G2390.19
222H2390.19
231G2630.16
232M2630.16
241G2470.19
242N2470.19
251H2350.18
252M2350.18
261H2600.13
262N2600.13
271I16690.14
272O16690.14
281J16330.13
282P16330.13
291K1050.09
292Q1050.09
301L6250.11
302R6250.11
31142180.12
31272180.12
32152010.12
32282010.12
331M2420.2
332N2420.2
LS refinement shellResolution: 6→6.152 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.403 252 -
Rwork0.376 3746 -
Obs--99.95 %
Refinement TLS params.

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

IDL112)L122)L132)L222)L232)L332)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T112)T122)T132)T222)T232)T332)Origin x (Å)Origin y (Å)Origin z (Å)
112.77090.9091-3.934.08161.53917.07520.40890.14320.86160.09650.0078-0.3084-0.32930.1684-0.41682.00870.2570.01930.62550.41341.7128-15.47497.088-66.418
22.00581.53242.10966.86151.24794.2712-0.25661.1265-0.011-0.0365-0.18980.0222-0.03120.57030.44631.89890.41650.11081.6258-0.06132.1442-43.30893.674-42.381
326.4428-4.4936-1.13075.6301-0.58411.46691.07690.2398-0.7641-0.0063-0.61060.73740.0891-0.1405-0.46642.0512-0.2051-0.0651.74010.26811.48112.16591.772-90.712
45.20751.6304-1.56562.5807-0.45063.3617-0.02510.5241-0.5215-0.96430.29680.32630.582-1.1604-0.27172.5682-0.0472-0.1590.44330.24681.5277-29.04458.044-58.496
54.6604-2.0886-1.49046.8187-0.36253.65240.06790.3778-0.38940.0323-0.06480.13360.18040.6313-0.00311.9887-0.0442-0.22650.2377-0.02540.71388.51959.634-34.087
67.1214-1.244110.86011.5194-0.852917.4963-0.1884-0.2454-0.3988-1.0701-0.82051.7341-1.0902-0.71491.0093.7696-0.0216-0.22432.279-0.42793.2872-20.87857.115-29.561
74.2515-2.03491.64372.52260.77223.06530.62430.16030.24490.7339-0.36770.78850.8917-0.8498-0.25663.4307-0.15940.37481.16640.13923.4542-53.42676.343-19.58
81.63010.3126-0.51942.24980.67631.04950.3201-0.5381.02980.21940.29260.4101-0.6188-0.4346-0.61263.9250.23720.37281.2308-0.0472.8325-13.05984.6514.7
91.4660.3283-1.67517.3334-7.03318.601-0.876-1.4774-0.15250.90410.60251.07540.54240.21620.27353.08050.02070.28782.3566-0.66092.9352-50.94542.317-14.102
101.480.3998-4.01739.3427-4.685113.12970.2038-0.5528-0.11420.1236-0.13840.7584-0.36880.6312-0.06542.0457-0.5482-0.14481.1590.00111.7221-30.2114.181-26.141
113.07920.8694-2.04370.4161-0.61191.36780.14930.2479-0.51180.2789-0.4526-0.3826-0.1247-0.0140.30333.7399-0.3269-0.37862.0775-0.15582.1705-29.465-16.202-38.772
1248.912-4.62548.74140.495-1.494911.34580.7610.2054-0.6238-0.2911-0.03190.21131.8084-0.9447-0.72922.75030.5740.39650.8217-0.59442.485115.73310.6-46.217
132.86070.4953-1.44222.2639-0.07734.0146-0.0693-0.1542-0.59181.3294-0.04830.45181.5299-0.56510.11773.9586-0.11620.00940.160.19151.5462-12.58636.812.392
140.6476-0.494-0.34282.328-3.11626.2814-0.5657-1.78420.51480.22131.3305-0.7360.7430.7916-0.76494.33111.07720.14865.1305-0.62855.3582-3.20930.79245.562
154.0943-1.8432-2.24641.18550.56342.41890.3788-1.0365-0.5057-0.703-0.01250.95480.9595-0.0183-0.36644.4716-0.3473-0.37953.7108-0.3913.5890.35913.658-63.23
163.1289-0.379-1.7790.0777-0.203112.9014-0.1679-0.09140.0421-0.10470.10080.0822-0.5889-1.34320.06712.28370.3258-0.15381.1365-0.23712.4314-113.47323.452-75.75
1717.1317-2.4323-1.21684.4651-6.418610.9085-0.8441-0.56550.6420.48990.9286-0.0995-0.3854-1.0379-0.08452.3388-0.09940.10110.7847-0.46011.7157-81.12421.62-58.87
187.75391.76994.41291.11612.85257.6197-0.8355-0.28680.3626-0.264-0.34330.3258-0.2996-1.60361.17882.7469-0.0297-0.08462.2122-0.10413.3704-146.3416.669-91.179
195.1666-0.83081.1033.1226-0.90182.77030.2273-1.0299-0.35330.4730.27531.2332-0.3109-0.8176-0.50272.35430.15960.49220.6284-0.20071.3395-100.521-14.719-64.177
205.52490.64481.54066.24070.92762.48890.13540.46970.15450.08570.270.43270.3008-0.9382-0.40532.22490.10580.28440.6980.24050.8415-92.496-15.147-108.029
215.79870.0749-9.86124.82182.680618.62340.2356-0.528-0.22632.0218-0.5349-0.23141.4810.75560.29933.19040.3388-0.29851.31840.08482.4894-76.748-16.587-83.321
222.5301-0.4982-0.08940.71211.59246.8661-0.0457-1.12210.30020.2768-0.0496-0.13740.28080.52420.09522.894-0.48660.09381.24810.09161.7021-55.5444.45-57.217
231.27271.29850.12172.00730.2381.2636-0.2566-0.64170.40940.0467-0.4225-0.602-0.69250.71770.67913.6458-0.04690.06010.87440.03042.6651-39.14710.84-107.481
249.2141-3.4219-1.18627.42920.03453.8295-0.3384-0.38950.14510.16050.3027-0.78030.20251.42510.03581.8947-0.1945-0.05460.9377-0.07851.0547-50.156-29.729-60.056
2519.8966-2.13551.11865.12260.89645.1295-0.27930.8470.9661-0.205-0.2777-0.42450.7290.12470.55712.2207-0.15850.21250.36810.46371.3565-69.439-58.567-73.344
269.0211-5.0423-2.33194.4894-1.55666.74390.6935-1.04420.0241-0.77480.36130.42510.2470.38-1.05492.4379-0.27140.04471.1958-0.02842.1964-82.634-89.067-68.981
2713.4052-3.27615.729315.3158.51839.52070.4409-1.3891-1.42161.2130.1815-0.06231.2672-0.4707-0.62253.165-0.7684-0.05420.83390.03181.9148-105.974-64.046-107.199
285.6195-0.64380.55693.3544-0.40572.54740.1853-0.2604-1.1496-0.258-0.1759-1.35970.51220.1466-0.00932.75380.0840.51990.04190.22631.8139-50.216-37.12-101.649
290.5721-0.0456-1.21480.51991.06675.0524-0.7725-0.2909-0.2709-0.9250.8639-0.1869-0.96141.3046-0.09154.2184-0.0087-0.08572.8238-0.32893.5413-14.133-44.398-125.118
300.96190.59081.69080.53831.3013.4919-0.47820.44930.77050.1869-0.27620.41330.03370.2380.75443.4464-0.11560.19443.51420.47753.7801-114.38-59.677-87.005
319.40651.7103-3.45562.629-4.10215.0779-0.76941.13820.20940.55960.3040.36260.03530.02140.46531.96590.18690.06150.4481-0.2691.7094-187.38766.982-17.589
3211.46266.5629-1.3937.69482.85355.3632-0.7093-0.31890.7592-0.80280.4819-0.3362-0.4298-0.28210.22751.7010.10420.04151.0899-0.53211.2129-180.40761.30417.983
3311.55745.7212-1.98464.7834-2.903513.4505-0.8250.26940.99580.45190.48561.0608-0.12740.32380.33931.98060.3622-0.0351.3860.43771.6585-195.2464.382-53.154
343.3593-0.0305-0.20024.0349-2.14635.2766-0.0066-0.6276-0.2124-0.33980.07410.94330.6742-0.2032-0.06752.07720.2174-0.09540.1632-0.02360.8822-184.92326.92-4.996
352.5871-0.48810.99036.7018-0.64755.7804-0.02871.00850.1258-0.2366-0.1284-0.32770.41190.08540.15721.43520.10180.22140.68720.33531.389-145.51433.099-25.531
3669.3948-31.02975.794214.3772-2.54620.50040.42991.02370.5840.437-0.64940.6902-0.07360.07590.21953.0366-0.46570.0411.2997-0.25382.4022-155.65327.4371.998
379.59880.6596-6.49752.8203-1.09415.67610.2451-1.41710.34990.0843-0.353-0.3191-0.24720.63170.1081.8229-0.3234-0.45141.3035-0.2271.437-164.16943.11836.494
381.48562.33-1.41554.4939-1.92211.71050.5366-0.30090.38381.22360.10340.4568-0.781-0.0073-0.644.1547-0.42250.02942.1177-0.06452.7489-115.59256.74119.806
393.852-4.48153.08326.2206-3.21595.5891-0.1816-0.3019-0.25451.055-0.3542-0.28221.04331.39020.53572.04960.0678-0.22782.19380.28331.9225-156.19.54535.162
406.0471-4.36593.43954.6598-0.538410.7471-0.5990.0436-0.47780.37430.293-0.8183-0.1771.0570.30591.80270.04120.11330.79330.0992.4003-154.286-15.858.08
410.18280.1763-0.46974.2504-6.34049.70180.41050.2837-0.3428-0.8437-0.21150.42080.715-0.0074-0.19912.56160.1166-0.40991.8983-0.09963.2623-161.614-45.65-3.786
4214.2496-8.54678.73417.8701-3.67056.4720.5386-0.2262-1.42470.94020.40590.56390.57230.4402-0.94462.6789-0.16720.31631.7363-0.29142.2619-147.869-15.669-40.335
431.761-0.46750.76033.238-0.29874.72750.2374-0.4703-1.13010.484-0.1869-0.88290.57560.0468-0.05062.37910.0855-0.32321.42190.25282.797-122.388.8519.277
443.8205-1.23980.7430.6952-0.01190.3643-0.0529-0.6291-0.4923-0.79460.8535-0.4169-0.38540.4824-0.80064.69370.12630.80133.9864-0.38243.7037-80.7673.75422.669
454.0571-1.3091-1.29820.77510.27050.8128-0.00180.4198-0.50430.1419-1.06290.048-0.62480.56731.06464.6975-0.3462-0.27773.81310.1393.9142-171.948-14.463-35.501
Refinement TLS group

Refinement-ID: X-RAY DIFFRACTION

IDRefine TLS-IDAuth asym-IDAuth seq-ID
11A6 - 51
21A179 - 235
31B6 - 51
41B179 - 233
52A52 - 178
63B52 - 178
74C2 - 28
84C146 - 152
94C445 - 455
104C517 - 831
114C1057 - 1241
124D501 - 790
135C1242 - 1320
145D343 - 500
155D791 - 943
165D1129 - 1153
175D1213 - 1317
185D1345 - 1376
195D1502 - 1503
205E2 - 91
215F505 - 529
226213 - 22
236313 - 16
247C832 - 891
257C912 - 1056
268C892 - 911
278F530 - 613
288112 - 36
298227 - 51
309C29 - 145
319C456 - 516
3210C153 - 226
3310C337 - 444
3410147 - 51
3511C227 - 336
3612D1154 - 1212
3713C1321 - 1342
3813D15 - 342
3913D1318 - 1344
4013D1501
4113F79 - 136
4213F356 - 504
4313137 - 46
4413223 - 26
4513152 - 60
461323 - 12
4714F137 - 355
4815D944 - 1128
4916G6 - 51
5016G179 - 235
5116H6 - 51
5216H179 - 233
5317G52 - 178
5418H52 - 178
5519I2 - 28
5619I146 - 152
5719I445 - 455
5819I517 - 831
5919I1057 - 1241
6019J501 - 790
6120I1242 - 1320
6220J343 - 500
6320J791 - 943
6420J1129 - 1153
6520J1213 - 1317
6620J1345 - 1376
6720J1502 - 1503
6820K2 - 91
6920L505 - 529
7021513 - 22
7121613 - 16
7222I832 - 891
7322I912 - 1056
7423I892 - 911
7523L530 - 613
7623412 - 36
7723527 - 51
7824I29 - 145
7924I456 - 516
8025I153 - 226
8125I337 - 444
8225447 - 51
8326I227 - 336
8427J1154 - 1212
8528I1321 - 1342
8628J15 - 342
8728J1318 - 1344
8828J1501
8928L79 - 136
9028L356 - 504
9128437 - 45
9228523 - 26
9328452 - 60
942853 - 12
9529L137 - 355
9630J944 - 1128
9731M6 - 51
9831M179 - 235
9931N6 - 51
10031N179 - 233
10132M52 - 178
10233N52 - 178
10334O2 - 28
10434O146 - 152
10534O445 - 455
10634O517 - 831
10734O1057 - 1241
10834P501 - 790
10935O1242 - 1320
11035P343 - 500
11135P791 - 943
11235P1129 - 1153
11335P1213 - 1317
11435P1345 - 1376
11535P1502 - 1503
11635Q2 - 91
11735R505 - 529
11836813 - 22
11936913 - 16
12037O832 - 891
12137O912 - 1056
12238O892 - 911
12338R530 - 613
12438712 - 36
12538827 - 51
12639O29 - 145
12739O456 - 516
12840O153 - 226
12940O337 - 444
13040747 - 51
13141O227 - 336
13242P1154 - 1212
13343O1321 - 1342
13443P15 - 342
13543P1318 - 1344
13643P1501
13743R79 - 136
13843R356 - 504
13943737 - 46
14043823 - 26
14143752 - 60
1424383 - 12
14344R137 - 355
14445P944 - 1128

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