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- PDB-7n1l: Crystal Structure of Ribosomal-protein-alanine N-acetyltransferas... -

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Basic information

Entry
Database: PDB / ID: 7n1l
TitleCrystal Structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis biovar Abortus 2308
ComponentsGCN5-related N-acetyltransferase
KeywordsTRANSFERASE / SSGCID / ribosomal-protein-alanine N-acetyltransferase / GCN5-related N-acetyltransferase / N-acetyltransferase / Brucella abortus / BAB1_1904 / Structural Genomics / Seattle Structural Genomics Center for Infectious Disease
Function / homologyacyltransferase activity, transferring groups other than amino-acyl groups / Acetyltransferase (GNAT) family / Gcn5-related N-acetyltransferase (GNAT) domain profile. / GNAT domain / Acyl-CoA N-acyltransferase / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / GCN5-related N-acetyltransferase
Function and homology information
Biological speciesBrucella abortus (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å
AuthorsSeattle Structural Genomics Center for Infectious Disease / Seattle Structural Genomics Center for Infectious Disease (SSGCID)
CitationJournal: To be published
Title: Crystal Structure of Ribosomal-protein-alanine N-acetyltransferase from Brucella melitensis biovar Abortus 2308
Authors: Abendroth, J. / Sankaran, B. / Lorimer, D.D. / Horanyi, P.S. / Edwards, T.E.
History
DepositionMay 27, 2021Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jun 16, 2021Provider: repository / Type: Initial release
Revision 1.1Oct 18, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: GCN5-related N-acetyltransferase
B: GCN5-related N-acetyltransferase
C: GCN5-related N-acetyltransferase
D: GCN5-related N-acetyltransferase
E: GCN5-related N-acetyltransferase
F: GCN5-related N-acetyltransferase
G: GCN5-related N-acetyltransferase
H: GCN5-related N-acetyltransferase
I: GCN5-related N-acetyltransferase
J: GCN5-related N-acetyltransferase
K: GCN5-related N-acetyltransferase
L: GCN5-related N-acetyltransferase
M: GCN5-related N-acetyltransferase
N: GCN5-related N-acetyltransferase
O: GCN5-related N-acetyltransferase
P: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)307,99616
Polymers307,99616
Non-polymers00
Water15,169842
1
A: GCN5-related N-acetyltransferase
D: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
B: GCN5-related N-acetyltransferase
E: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
3
C: GCN5-related N-acetyltransferase
G: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
4
F: GCN5-related N-acetyltransferase
J: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
5
H: GCN5-related N-acetyltransferase
K: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
6
I: GCN5-related N-acetyltransferase
L: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
7
M: GCN5-related N-acetyltransferase
P: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
8
N: GCN5-related N-acetyltransferase
O: GCN5-related N-acetyltransferase


Theoretical massNumber of molelcules
Total (without water)38,4992
Polymers38,4992
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)67.020, 114.900, 122.000
Angle α, β, γ (deg.)87.121, 76.271, 73.142
Int Tables number1
Space group name H-MP1
Space group name HallP1
Symmetry operation#1: x,y,z
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
d_1ens_1(chain "A" and (resid 7 or resid 9 through 18...
d_2ens_1(chain "B" and (resid 7 or resid 9 through 18...
d_3ens_1(chain "C" and (resid 7 or resid 9 through 18...
d_4ens_1(chain "D" and (resid 7 or resid 9 through 18...
d_5ens_1(chain "E" and (resid 7 or resid 9 through 18...
d_6ens_1(chain "F" and (resid 7 or resid 9 through 18...
d_7ens_1(chain "G" and (resid 7 or resid 9 through 18...
d_8ens_1(chain "H" and (resid 7 or resid 9 through 18...
d_9ens_1(chain "I" and (resid 7 or resid 9 through 18...
d_10ens_1(chain "J" and (resid 7 or resid 9 through 18...
d_11ens_1(chain "K" and (resid 7 or resid 9 through 18...
d_12ens_1(chain "L" and (resid 7 or resid 9 through 18...
d_13ens_1(chain "M" and (resid 7 or resid 9 through 18...
d_14ens_1(chain "N" and (resid 7 or resid 9 through 18...
d_15ens_1(chain "O" and (resid 7 or resid 9 through 28...
d_16ens_1(chain "P" and (resid 7 or resid 9 through 18...

NCS domain segments:
Dom-IDComponent-IDEns-IDBeg label comp-IDEnd label comp-IDLabel asym-IDLabel seq-ID
d_11ens_1VALVALA2
d_12ens_1ILEALAA4 - 23
d_13ens_1ASPALAA34 - 101
d_14ens_1LYSPHEA103 - 143
d_21ens_1VALVALB3
d_22ens_1ILEALAB5 - 24
d_23ens_1ASPALAB34 - 101
d_24ens_1LYSPHEB103 - 143
d_31ens_1VALVALC2
d_32ens_1ILEALAC4 - 23
d_33ens_1ASPALAC28 - 95
d_34ens_1LYSPHEC97 - 137
d_41ens_1VALVALD2
d_42ens_1ILEALAD4 - 23
d_43ens_1ASPALAD31 - 98
d_44ens_1LYSPHED100 - 140
d_51ens_1VALVALE3
d_52ens_1ILEALAE5 - 24
d_53ens_1ASPALAE32 - 99
d_54ens_1LYSPHEE101 - 141
d_61ens_1VALVALF2
d_62ens_1ILEALAF4 - 23
d_63ens_1ASPALAF31 - 98
d_64ens_1LYSPHEF100 - 140
d_71ens_1VALVALG3
d_72ens_1ILEALAG5 - 24
d_73ens_1ASPALAG31 - 98
d_74ens_1LYSPHEG100 - 140
d_81ens_1VALVALH3
d_82ens_1ILEALAH5 - 24
d_83ens_1ASPALAH34 - 101
d_84ens_1LYSPHEH103 - 143
d_91ens_1VALVALI3
d_92ens_1ILEALAI5 - 24
d_93ens_1ASPALAI34 - 101
d_94ens_1LYSPHEI103 - 143
d_101ens_1VALVALJ2
d_102ens_1ILEALAJ4 - 23
d_103ens_1ASPALAJ25 - 92
d_104ens_1LYSPHEJ94 - 134
d_111ens_1VALVALK3
d_112ens_1ILEALAK5 - 24
d_113ens_1ASPALAK37 - 104
d_114ens_1LYSPHEK106 - 146
d_121ens_1VALVALL3
d_122ens_1ILEALAL5 - 24
d_123ens_1ASPALAL37 - 104
d_124ens_1LYSPHEL106 - 146
d_131ens_1VALVALM3
d_132ens_1ILEALAM5 - 24
d_133ens_1ASPALAM30 - 97
d_134ens_1LYSPHEM99 - 139
d_141ens_1VALVALN1
d_142ens_1ILEALAN3 - 22
d_143ens_1ASPALAN29 - 96
d_144ens_1LYSPHEN98 - 138
d_151ens_1VALVALO1
d_152ens_1ILEALAO3 - 22
d_153ens_1ASPALAO25 - 92
d_154ens_1LYSPHEO94 - 134
d_161ens_1VALVALP1
d_162ens_1ILEALAP3 - 22
d_163ens_1ASPALAP29 - 96
d_164ens_1LYSPHEP98 - 138

NCS oper:
IDCodeMatrixVector
1given(0.999706180132, 0.00427989910485, -0.0238586644643), (0.00405613484052, -0.999947411273, -0.00941925996014), (-0.0238977232498, 0.00931971843424, -0.999670966704)0.649371816593, -48.8036210713, 43.8423868388
2given(0.990720341475, 0.0317939677265, 0.132145180027), (-0.13155193518, -0.0200876882723, 0.991105732569), (0.0341656748579, -0.999292563965, -0.0157187234031)-36.5860798147, -47.8754870433, -4.42845450955
3given(-0.999986518881, 0.00284090421477, -0.00434641467139), (0.00048961175889, 0.884914912266, 0.465752464651), (0.00516936529748, 0.465744057731, -0.884904373563)-31.4693192799, -13.0996243955, 53.0626781976
4given(-0.999832938332, -0.0027268647403, 0.0180737277492), (-0.00616068744516, -0.880676092789, -0.473678863282), (0.0172087581268, -0.473711076289, 0.880512166211)-32.0856749481, -35.8295877546, -8.41997536709
5given(0.988637259066, -0.100985863247, 0.111347318827), (0.109891448918, -0.0198842165379, -0.993744679174), (0.102568218472, 0.99468913403, -0.00856079450424)-37.883157592, -1.8250303115, 51.4023826198
6given(-0.98717277053, 0.10132543484, -0.123381835692), (0.155348455374, 0.43131300431, -0.888727151451), (-0.0368344748456, -0.896494421939, -0.441521203223)-60.4299565107, 9.33341207525, 6.44169710882
7given(0.22940274809, -0.228396805713, 0.946154996979), (-0.23141436331, -0.957003057989, -0.174907230992), (0.945421478296, -0.178829656769, -0.272393432809)-38.3566505841, 17.7144995524, 53.9437309014
8given(0.21453788682, -0.231642117635, 0.948849526773), (0.231531599982, 0.955841247161, 0.180998973575), (-0.948876500567, 0.180857511768, 0.258696631421)-38.6088091568, -67.0989973326, -9.29866965072
9given(-0.99051848441, -0.0259366398236, -0.134908942463), (-0.10845579342, -0.455128637491, 0.883795940367), (-0.0843236201511, 0.890047871774, 0.448000349369)-61.9534259853, -57.7524587948, 35.6866676085
10given(-0.223767495587, 0.260664618763, -0.939139001663), (0.217376420099, -0.925953917884, -0.308799018685), (-0.950092416507, -0.273245857208, 0.150536047561)7.61046556369, 28.7554820243, 12.3101630123
11given(-0.215135536311, 0.260720436993, -0.941138435487), (-0.215712805259, 0.927214153026, 0.30617299044), (0.952462433203, 0.268884302558, -0.143235977234)7.9093299609, -77.8088765099, 31.8538431606
12given(-0.333102108659, 0.165495042281, -0.928253400849), (-0.92172005225, -0.264599193567, 0.283583166009), (-0.198683493242, 0.95005192371, 0.240678648345)40.674969282, -37.1504518157, -31.9024216622
13given(-0.334127163364, 0.301109963926, -0.893135951761), (0.925322519702, 0.285027917917, -0.25007462994), (0.179268717947, -0.909995536051, -0.37385940022)35.3627962482, -13.7955169569, 79.2933085293
14given(0.343260310858, -0.150427948578, 0.927115845661), (-0.915354824768, 0.167615186198, 0.366102026941), (-0.210470671981, -0.974308258018, -0.0801593075923)-5.03708979517, -60.1541920038, 64.8851375874
15given(0.357647344225, -0.287539620645, 0.888487109489), (0.907326159328, -0.118177866688, -0.403476433543), (0.22101497182, 0.950449871579, 0.218626219487)0.479195382435, 10.754339618, -24.6095903976

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Components

#1: Protein
GCN5-related N-acetyltransferase


Mass: 19249.725 Da / Num. of mol.: 16
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Brucella abortus (strain 2308) (bacteria)
Strain: 2308 / Gene: BAB1_1904 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q2YLP8, Transferases; Acyltransferases; Transferring groups other than aminoacyl groups
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 842 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

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

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Sample preparation

CrystalDensity Matthews: 2.84 Å3/Da / Density % sol: 56.7 %
Crystal growTemperature: 287 K / Method: vapor diffusion, sitting drop / pH: 8.5
Details: RigakuReagents JCSG+ screen, condition G1: 30% (V/V) Jeffamine ED-2003, 100mM HEPES free acid / sodium hydroxide pH 7.0: BrabA.17502.a.A1.PS01129 at 26mg/ml: tray 236060 G1: cryo: 20% EG: puck kzs9-7.

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.1 / Wavelength: 0.97742 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 18, 2012
RadiationMonochromator: Diamond [111] / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97742 Å / Relative weight: 1
ReflectionResolution: 2.3→50 Å / Num. obs: 147858 / % possible obs: 98.4 % / Redundancy: 3.862 % / Biso Wilson estimate: 42.519 Å2 / CC1/2: 0.998 / Rmerge(I) obs: 0.077 / Rrim(I) all: 0.09 / Χ2: 0.897 / Net I/σ(I): 14.05
Reflection shell

Diffraction-ID: 1

Resolution (Å)Redundancy (%)Rmerge(I) obsMean I/σ(I) obsNum. unique obsCC1/2Rrim(I) all% possible all
2.3-2.363.8780.5372.62107630.8420.62397.6
2.36-2.423.8840.4832.92105980.8490.56197.7
2.42-2.493.8890.4123.44103990.8840.47897.8
2.49-2.573.8880.3583.89100180.9030.41697.8
2.57-2.663.890.2964.6696740.9380.34498.1
2.66-2.753.8940.245.7294460.9550.27898.1
2.75-2.853.8940.2026.790600.9670.23498.2
2.85-2.973.8970.168.4788150.9760.18698.5
2.97-3.13.880.11511.3784410.9880.13498.4
3.1-3.253.8730.09613.5580020.9910.11198.5
3.25-3.433.8570.07117.5776730.9950.08398.7
3.43-3.643.8330.05721.2572680.9960.06798.7
3.64-3.893.8240.04825.0268070.9970.05698.9
3.89-4.23.8210.04129.0764010.9970.04898.8
4.2-4.63.7840.03533.358440.9980.04199.1
4.6-5.143.7320.03434.1953180.9980.03998.9
5.14-5.943.7460.03630.846470.9980.04299.2
5.94-7.273.9030.03333.0739610.9980.03899.5
7.27-10.293.8530.02542.5430650.9990.02999.4
10.29-503.8330.02246.7716580.9990.02698.3

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Processing

Software
NameVersionClassification
XDSdata reduction
XSCALEdata scaling
PHENIX1.19 dev 4224refinement
PDB_EXTRACT3.27data extraction
MR-Rosettaphasing
PHASERphasing
Cootmodel building
BUCCANEERmodel building
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: MR rosetta based on PDB entries 5F47, 6BVC, 5HMN, 2FE7, 3I9S, 3FYN, 2EUI, 1QSM, 3T9Y, 1Z4E, 1S3Z, 2R1I, 3JVN, 2DXQ, 5T7D, 3D8P, 4E04, 4EVY, ...Starting model: MR rosetta based on PDB entries 5F47, 6BVC, 5HMN, 2FE7, 3I9S, 3FYN, 2EUI, 1QSM, 3T9Y, 1Z4E, 1S3Z, 2R1I, 3JVN, 2DXQ, 5T7D, 3D8P, 4E04, 4EVY, 1MK4

5f47

6bvc

5hmn

2fe7

3i9s

3fyn

2eui

1qsm

3t9y

1z4e

1s3z

2r1i

3jvn

2dxq

5t7d

3d8p

4e04

4evy

1mk4


Resolution: 2.3→48.73 Å / SU ML: 0.287 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 26.0191
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
RfactorNum. reflection% reflectionSelection details
Rfree0.2484 1756 1.19 %0
Rwork0.209 146078 --
obs0.2094 147834 98.4 %-
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Displacement parametersBiso mean: 52.25 Å2
Refinement stepCycle: LAST / Resolution: 2.3→48.73 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms17210 0 0 842 18052
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.007217633
X-RAY DIFFRACTIONf_angle_d0.893424018
X-RAY DIFFRACTIONf_chiral_restr0.05622662
X-RAY DIFFRACTIONf_plane_restr0.0093153
X-RAY DIFFRACTIONf_dihedral_angle_d13.34426118
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDRefine-IDTypeRms dev position (Å)
ens_1d_2AX-RAY DIFFRACTIONTorsion NCS0.211843534852
ens_1d_3AX-RAY DIFFRACTIONTorsion NCS0.259894246234
ens_1d_4AX-RAY DIFFRACTIONTorsion NCS0.735140535459
ens_1d_5AX-RAY DIFFRACTIONTorsion NCS0.812336602313
ens_1d_6AX-RAY DIFFRACTIONTorsion NCS0.375510519148
ens_1d_7AX-RAY DIFFRACTIONTorsion NCS0.647224947044
ens_1d_8AX-RAY DIFFRACTIONTorsion NCS0.235270336912
ens_1d_9AX-RAY DIFFRACTIONTorsion NCS0.315425661901
ens_1d_10AX-RAY DIFFRACTIONTorsion NCS0.433742193274
ens_1d_11AX-RAY DIFFRACTIONTorsion NCS0.956167030462
ens_1d_12AX-RAY DIFFRACTIONTorsion NCS0.953411499161
ens_1d_13AX-RAY DIFFRACTIONTorsion NCS0.613326237985
ens_1d_14AX-RAY DIFFRACTIONTorsion NCS0.467277076417
ens_1d_15AX-RAY DIFFRACTIONTorsion NCS0.366676390826
ens_1d_16AX-RAY DIFFRACTIONTorsion NCS0.276263343121
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.3-2.360.31851280.263811082X-RAY DIFFRACTION97.53
2.36-2.430.29111050.24811173X-RAY DIFFRACTION97.66
2.43-2.510.26181470.241811177X-RAY DIFFRACTION97.92
2.51-2.60.30751530.240111197X-RAY DIFFRACTION97.88
2.6-2.70.271280.237811174X-RAY DIFFRACTION98.07
2.7-2.830.31381720.234711230X-RAY DIFFRACTION98.28
2.83-2.980.28991510.225411208X-RAY DIFFRACTION98.41
2.98-3.160.24791290.21411274X-RAY DIFFRACTION98.51
3.16-3.410.25321400.208711209X-RAY DIFFRACTION98.58
3.41-3.750.23771350.194411318X-RAY DIFFRACTION98.83
3.75-4.290.19651140.182311343X-RAY DIFFRACTION99.02
4.29-5.410.20331120.176611326X-RAY DIFFRACTION99.02
5.41-48.730.2431420.215511367X-RAY DIFFRACTION99.46
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)
12.438650173090.2640573674840.240733078681.75328422871-0.166134884590.9076601127430.1646505746830.0279445353689-0.101077638070.0174976680758-0.118977095141-0.337790471447-0.01401359215990.131936083077-0.03505127524340.2486232350410.0347001028848-0.04542102306590.1703159750060.02605974477580.378261001398-3.83500186963-4.966558323727.5716320226
23.187046185610.190348755033-0.4850632692583.52697507015-0.3367013754961.423750279780.0152805523854-0.0548188390422-0.268412047627-0.169740503101-0.0365361832458-0.4219293315910.09208823710130.1231864613710.01458797197870.2131605708120.01528928262480.02518586913420.1695215680130.0401857960640.213788456186-3.79948189678-44.078401395316.2099770778
34.857989789120.308231709769-0.007138221699351.33612320289-0.03301817800022.76718710284-0.01862993640740.442588884315-0.0297807434912-0.1432748436660.0501355870439-0.5622907637370.03762385092240.353696814129-0.04716727492090.2264199142790.007433485827170.01268082093840.2795642608250.03452433059580.457506832799-36.8456568855-19.44324952580.0782118491679
43.174632649610.06849244533780.275185787811.036718278240.3601487909081.613034713320.0905649045227-0.07651588791750.1870367406570.0438672462384-0.04825478708310.122577050599-0.125748285169-0.133064987831-0.04230671090890.2765197339990.0130667953699-0.03283999583080.1418054905620.01982712405090.387939788438-27.6203971265-4.7510258602925.9962272924
53.694906375660.497132340996-0.8494467099732.948981597480.4887831691732.05779407318-0.05146629800880.249393550965-0.195381081321-0.108623191626-0.08566494058330.2790207030880.214181044991-0.2421764653390.1217748901190.2355306858990.00844806954058-0.02083407745870.1773366558170.009989441129260.200782022099-27.6611877249-44.390546051718.5883437303
63.41023185305-0.2008247821040.09918751737191.648746443110.4292394860083.353848893770.0473191556289-0.7984693610240.44012694480.2842709605730.009451981493140.0055905007061-0.0008536607779940.430989931054-0.04423790158090.2301922260220.0145749276383-0.01113040759540.442492878193-0.07286936011080.29547176835-38.0751998439-29.879913501545.7426556127
73.989475022760.5487946645841.092550770592.30834373817-0.6908441678363.04263377221-0.07954834234840.3470324826390.42651770614-0.1814226037220.1779698516470.149405120865-0.0241073783776-0.338131747824-0.0781846645530.201011236247-0.0106760216836-0.01841726272120.3155411593710.06319593908650.300721908359-60.6015222638-18.651377772-1.07422812481
82.08140902192-0.3583411782340.298985287063.31934795079-0.289516063061.385290482810.0442708225684-0.6329500919970.612904646520.466058550495-0.164701877031-0.129633713706-0.266727767157-0.0225375521910.08778641865720.386073240683-0.0477851997371-0.01457990376510.314732426908-0.1502837763020.527810638795-11.978549175318.538203349843.6867632109
92.095191292630.43100342103-0.2577985777143.04682532215-0.4428737371030.917236781989-0.2125781496960.721753336906-0.823485992588-0.664396072140.0903000876857-0.1831415273920.284342449073-0.02466343943010.05141637441570.54000296951-0.02409588694420.1289860340710.355845569325-0.1948280875310.588859249785-12.0220862203-67.67432081430.52872797866
102.60650082534-0.7532222420990.8753690531251.92146104026-0.1555192578282.84068878781-0.0528422698966-0.8966271701030.2532668833470.208084706194-0.1205353227210.4693231682880.0483829222063-1.189428863680.1011036711770.264800606878-0.00148114414546-0.006471706371460.789244224071-0.136224627810.459549456892-61.6582359452-29.432829920543.878313338
111.95347515359-0.8270895667090.1888484388472.279796095710.0836688207421.374387394950.2247292086810.2556930270690.52687861061-0.166155060247-0.146220576858-0.0998249233467-0.265531906678-0.0333941783938-0.05640008470260.3804449324220.06054245333850.0587324441040.2392490198780.04945941877160.724271469914-18.466400598524.056262599621.5006408891
121.3359398760.614777869679-0.3773936482682.860825464790.2927487205520.9459258016830.0490687522954-0.185445629662-0.667891327656-0.00675882244882-0.129083734368-0.1066755624410.1894784582670.01633807584450.04773784200180.3615225446320.008016012593510.05106674198440.2185990536980.05936090607150.861033885232-18.0070434798-73.228445748722.9734097178
132.10468295694-0.04177053030840.8893153766951.784955422470.2834672057412.889968259750.1146601697780.776409600938-0.0442398871962-0.6550288884280.188714147818-0.3047411269340.2584071586020.139298328673-0.2683533229760.701703260576-0.1023904528550.06062500252410.928476711285-8.60388469611E-60.30395218754614.7999587587-24.2700019939-29.0933987578
141.226663653690.8681966523340.2593493998670.929467992339-0.4081746832721.511854549220.503331499029-1.328300426920.6625456199280.538248456761-0.44027961920.755504657393-0.015582463956-0.646347501037-0.1595847940190.702651579442-0.2461558209550.4295672868441.50324842749-0.2834043203030.72783121610610.7301418762-25.833496545572.2279146097
153.278918018630.357238289387-0.4722428270810.823416316693-0.5667719605914.513657122060.763177022881-1.0916716207-0.5344264190740.569513951579-0.3951004481260.2379068150610.993706812348-0.196278240851-0.3318692650640.89265667102-0.263860374034-0.1437629124640.9828062443240.1399390697450.48464790076320.7886116971-46.326978025568.3303816879
161.563745746610.1116569526150.4757849540460.3218052680640.3887544596572.03182027675-0.4058333759281.08528778720.760435454716-0.727530976470.266343989408-0.172874673568-0.5133466964890.6299503852030.01152996321690.732820756313-0.2820299982290.1763261297781.045031650160.2645491604970.59597283985425.1847912548-3.60413888888-23.8984183796
Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

IDRefine TLS-IDSelection detailsAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11(chain 'A' and resid 6 through 150)AA6 - 1501 - 143
22(chain 'B' and resid 5 through 150)BB5 - 1501 - 143
33(chain 'C' and resid 6 through 150)CC6 - 1501 - 137
44(chain 'D' and resid 6 through 151)DD6 - 1511 - 141
55(chain 'E' and resid 5 through 150)EE5 - 1501 - 141
66(chain 'F' and resid 6 through 151)FF6 - 1511 - 141
77(chain 'G' and resid 5 through 150)GG5 - 1501 - 140
88(chain 'H' and resid 5 through 151)HH5 - 1511 - 144
99(chain 'I' and resid 5 through 150)II5 - 1501 - 143
1010(chain 'J' and resid 6 through 150)JJ6 - 1501 - 134
1111(chain 'K' and resid 5 through 152)KK5 - 1521 - 148
1212(chain 'L' and resid 5 through 152)LL5 - 1521 - 148
1313(chain 'M' and resid 5 through 150)MM5 - 1501 - 139
1414(chain 'N' and resid 7 through 152)NN7 - 1521 - 140
1515(chain 'O' and resid 7 through 150)OO7 - 1501 - 134
1616(chain 'P' and resid 7 through 150)PP7 - 1501 - 138

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