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- PDB-3m3i: Hypothetical protein from Leishmania major -

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Basic information

Entry
Database: PDB / ID: 3m3i
TitleHypothetical protein from Leishmania major
ComponentsPutative uncharacterized protein
KeywordsUNKNOWN FUNCTION / Pfam:PF06172 / Structural Genomics / Structural Genomics of Pathogenic Protozoa Consortium / SGPP / PSI / Protein Structure Initiative
Function / homology
Function and homology information


Cupin domain of unknown function DUF985 / Uncharacterized protein YML079W-like / Cupin superfamily (DUF985) / RmlC-like cupin domain superfamily / Jelly Rolls / RmlC-like jelly roll fold / Jelly Rolls / Sandwich / Mainly Beta
Similarity search - Domain/homology
Putative zinc finger protein family member / :
Similarity search - Component
Biological speciesLeishmania major (eukaryote)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / molecular replacement / Resolution: 2.35 Å
AuthorsMerritt, E.A. / Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
CitationJournal: To be Published
Title: Hypothetical protein from Leishmania major
Authors: Merritt, E.A. / Carruthers, J. / Arakaki, T. / Holmes, M. / Kalyushniy, O. / Napuli, A. / Van Voorhis, W.C. / Buckner, F.S. / Fan, E. / Zucker, F. / Verlinde, L.M.J. / Hol, W.G.J.
History
DepositionMar 9, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Mar 23, 2010Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Feb 21, 2024Group: Data collection / Database references
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ref_seq_dif
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ref_seq_dif.details

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Putative uncharacterized protein
B: Putative uncharacterized protein
C: Putative uncharacterized protein
D: Putative uncharacterized protein
E: Putative uncharacterized protein
F: Putative uncharacterized protein
G: Putative uncharacterized protein
H: Putative uncharacterized protein


Theoretical massNumber of molelcules
Total (without water)202,8518
Polymers202,8518
Non-polymers00
Water2,180121
1
A: Putative uncharacterized protein
H: Putative uncharacterized protein


Theoretical massNumber of molelcules
Total (without water)50,7132
Polymers50,7132
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2910 Å2
ΔGint-18 kcal/mol
Surface area15450 Å2
MethodPISA
2
B: Putative uncharacterized protein
E: Putative uncharacterized protein


Theoretical massNumber of molelcules
Total (without water)50,7132
Polymers50,7132
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2910 Å2
ΔGint-18 kcal/mol
Surface area15390 Å2
MethodPISA
3
C: Putative uncharacterized protein
F: Putative uncharacterized protein


Theoretical massNumber of molelcules
Total (without water)50,7132
Polymers50,7132
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2880 Å2
ΔGint-19 kcal/mol
Surface area15530 Å2
MethodPISA
4
D: Putative uncharacterized protein
G: Putative uncharacterized protein


Theoretical massNumber of molelcules
Total (without water)50,7132
Polymers50,7132
Non-polymers00
Water362
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area2910 Å2
ΔGint-18 kcal/mol
Surface area15350 Å2
MethodPISA
Unit cell
Length a, b, c (Å)52.979, 98.429, 100.758
Angle α, β, γ (deg.)71.870, 80.190, 89.570
Int Tables number1
Space group name H-MP1
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
31C
41D
51E
61F
71G
81H

NCS domain segments:
Dom-IDComponent-IDEns-IDRefine codeAuth asym-IDAuth seq-ID
1114A15 - 217
2114B15 - 217
3114C15 - 217
4114D15 - 217
5114E15 - 217
6114F15 - 217
7114G15 - 217
8114H15 - 217

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Components

#1: Protein
Putative uncharacterized protein


Mass: 25356.342 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Leishmania major (eukaryote) / Gene: LmjF35.1030, LMJ_1035 / Plasmid: PET3A / Production host: Escherichia coli (E. coli) / References: UniProt: Q4FX13, UniProt: E9AES8*PLUS
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 121 / 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: 2.42 Å3/Da / Density % sol: 49.23 %
Crystal growTemperature: 293 K / Method: vapor diffusion / pH: 5
Details: protein buffer 25 mM HEPES pH 7.5, 500 mM NaCl; crystallization buffer 100 mM Na Acetate, 100 mM KH2PO4, 24% PEG 1500, VAPOR DIFFUSION, temperature 293K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 8.2.1 / Wavelength: 1.07811 Å
DetectorType: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 11, 2005
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.07811 Å / Relative weight: 1
ReflectionResolution: 2.35→46.716 Å / Num. all: 73773 / Num. obs: 73773 / % possible obs: 93 % / Redundancy: 1.9 % / Rsym value: 0.097

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Phasing

PhasingMethod: molecular replacement

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Processing

Software
NameVersionClassificationNB
SCALA3.3.9data scaling
REFMACrefinement
PDB_EXTRACT3.1data extraction
MOSFLMdata reduction
BALBESphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.35→46.72 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.878 / WRfactor Rfree: 0.296 / WRfactor Rwork: 0.247 / Occupancy max: 1 / Occupancy min: 0.5 / FOM work R set: 0.685 / SU B: 22.302 / SU ML: 0.274 / SU R Cruickshank DPI: 0.333 / SU Rfree: 0.288 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.332 / ESU R Free: 0.288 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES: WITH TLS ADDED
RfactorNum. reflection% reflectionSelection details
Rfree0.29 3678 5 %RANDOM
Rwork0.239 ---
obs0.242 73637 92.82 %-
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parametersBiso max: 221.19 Å2 / Biso mean: 74.223 Å2 / Biso min: 29.52 Å2
Baniso -1Baniso -2Baniso -3
1--0.13 Å20.86 Å20.25 Å2
2---1.2 Å2-0.41 Å2
3---1.48 Å2
Refinement stepCycle: LAST / Resolution: 2.35→46.72 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms11321 0 0 121 11442
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.010.02111643
X-RAY DIFFRACTIONr_bond_other_d0.0010.027820
X-RAY DIFFRACTIONr_angle_refined_deg1.2231.94415838
X-RAY DIFFRACTIONr_angle_other_deg0.82318886
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.4651416
X-RAY DIFFRACTIONr_dihedral_angle_2_deg28.25823.203590
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.036151770
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.9631587
X-RAY DIFFRACTIONr_chiral_restr0.0730.21659
X-RAY DIFFRACTIONr_gen_planes_refined0.0050.02113198
X-RAY DIFFRACTIONr_gen_planes_other0.0010.022525
Refine LS restraints NCS

Ens-ID: 1 / Number: 2255 / Refine-ID: X-RAY DIFFRACTION / Type: MEDIUM POSITIONAL / Weight position: 0.5

Dom-IDAuth asym-IDRms dev position (Å)
1A0.32
2B0.32
3C0.27
4D0.29
5E0.31
6F0.32
7G0.31
8H0.34
LS refinement shellResolution: 2.35→2.411 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.394 255 -
Rwork0.329 5011 -
all-5266 -
obs--88.98 %
Refinement TLS params.

Method: refined / Refine-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)
18.0284-0.95434.83694.32110.25644.7613-0.33170.35850.4167-0.85230.1750.184-0.41620.26290.15670.35140.00290.07890.07880.02130.3906-0.739265.4011-1.349
22.59671.42594.17994.21518.772118.97090.0263-0.34060.280.177-0.64660.24310.4202-1.35510.62030.23820.13950.06330.2229-0.0220.3699-6.675758.59625.7555
30.93082.6998-1.82399.3578-2.49168.9032-0.02740.12410.3312-0.47450.19931.2648-0.511-0.5907-0.17180.2320.0967-0.02590.2091-0.02650.4783-11.586240.7260.9738
43.37133.2734-3.43887.8425-3.37823.7712-0.195-0.0124-0.26830.2067-0.1306-0.19130.1721-0.12850.32560.16240.05070.03160.0999-0.00960.2792-9.750543.05375.1805
53.44441.21660.20980.82-1.06666.73650.0517-0.27360.5171-0.1958-0.07420.3723-0.05840.00030.02250.33720.0348-0.07380.08010.01840.4737-1.976555.712612.7548
60.70511.2749-2.87424.6073-4.378213.53580.0046-0.09810.1709-0.2327-0.01590.41490.15710.31680.01130.10980.04330.10580.1755-0.03280.36496.496654.527110.213
71.1708-2.6477-4.14249.582212.43617.2965-0.2732-0.48550.289-0.38850.8842-0.18050.21631.4899-0.61090.7330.2854-0.13580.43510.03330.62224.188639.764618.4202
813.31488.8621-1.70176.64921.202521.13940.8721-2.4117-1.41390.7941-1.4707-1.20860.18752.81810.59860.2313-0.0606-0.12530.91890.41780.54214.929746.750224.2234
910.9488-1.20193.29071.44512.76058.4108-0.134-0.08190.7777-0.12210.1771-0.2015-0.35550.3872-0.04310.13840.07640.04490.09390.02220.406614.8553.09448.0757
102.55981.24640.31116.5591-2.62173.61380.1334-0.16030.04380.63610.121-0.3455-0.23350.9094-0.25440.12380.06570.05550.5127-0.12760.27263.671354.102814.9129
111.0256-2.695-2.15869.02637.12525.63240.3947-0.20560.0993-0.3977-0.1022-0.446-0.3466-0.056-0.29250.423-0.1886-0.01060.34450.04960.47086.878761.19035.5178
122.39960.8509-0.23952.21041.42741.84530.0564-0.42770.30890.0917-0.24570.22180.07810.19310.18930.09110.06070.02070.211-0.02080.3375-5.691653.260221.0417
133.7356-0.07031.429710.5852-4.06814.4808-0.02250.0808-0.3812-0.08610.1371.12230.2068-0.7678-0.11440.12420.07690.05620.21150.00480.40890.9362-4.359741.6048
1410.93544.9844-14.70692.3556-7.516241.2698-0.3015-0.3338-0.7863-0.0917-0.1612-0.1892.10880.52530.46270.44490.04240.19490.03680.01260.56058.3574-12.101645.0614
1527.4737-12.72317.27486.6413-2.06254.2986-0.0238-0.7192-1.9616-0.05880.19941.0621-0.0576-0.5582-0.17570.3328-0.00210.06740.2096-0.00610.55823.5564-15.848533.5679
167.6886-1.1415-1.82553.0726-1.93932.13340.0129-0.60940.3928-0.34150.0955-0.14940.2760.125-0.10840.2460.0069-0.04780.05780.01770.381421.3708-14.388940.584
175.0092-1.58112.6274.6723-1.68531.68290.0831-0.5197-0.41840.49250.01390.34140.1-0.2803-0.09690.4915-0.00630.09050.1375-0.03690.344314.6443-10.387752.7248
185.9004-2.21763.79312.0515-3.43676.042-0.035-0.33230.00450.26740.15730.217-0.205-0.2644-0.12230.37840.0380.10580.05870.00540.40715.3211-0.983451.4457
1915.42679.4439-17.76735.8015-10.886620.46790.5178-1.2781-0.2530.3941-0.8556-0.2797-0.64851.49950.33780.6688-0.2164-0.24380.52560.15031.092232.1517-6.486554.5001
2013.102-5.2302-0.172611.2072-1.98298.1199-0.5426-1.5290.81931.42630.1872-0.8295-0.68320.21930.35540.41070.0517-0.10640.3587-0.03250.375925.2777-5.453861.7943
218.14783.53661.7453.7308-2.42574.9902-0.2144-0.96751.24430.78620.26570.7769-1.313-1.2018-0.05120.46690.25280.14910.3486-0.13060.508115.48129.940252.7643
222.5128-0.25731.28810.7998-1.26912.34750.1779-0.39990.10870.14660.02290.129-0.1341-0.1972-0.20080.33080.04120.07890.13740.01480.272114.4124-1.156651.9072
230.0739-0.3519-0.36892.22052.41442.6372-0.0969-0.0192-0.10770.4522-0.25980.35710.485-0.33690.35670.3580.04780.08490.25510.07440.414318.7891-18.041650.0598
2411.3031-1.67333.86215.5748-0.66518.5794-0.2313-0.3930.15160.7712-0.143-0.1833-0.0519-0.36420.37430.46720.03650.1370.31760.07380.125216.9322-14.203966.1014
257.89343.0902-0.18429.7477-1.45212.6098-0.27010.54670.8998-0.77750.40140.54180.1280.0513-0.13130.34920.0939-0.01230.11210.03210.3196-7.36917.0875-5.0772
269.3461-7.1254-7.978613.215613.417213.7258-0.4172-0.14130.07840.2259-0.31540.78680.2953-0.26460.73260.23350.129-0.0440.13350.05990.4511-12.55269.18723.6267
2717.795825.8468-7.497237.8186-11.07533.28490.39590.26151.23221.11690.29041.9403-0.5005-0.071-0.68630.867-0.03670.22150.0689-0.09880.4978-13.1529-8.2725-1.7657
281.90591.9189-1.23475.06550.02911.7779-0.1152-0.0014-0.1639-0.0086-0.04260.2880.2015-0.15450.15780.13090.0580.00670.11260.01270.3314-10.7457-3.68995.1947
293.92820.4472-0.45335.60650.90792.52190.15030.18130.1475-0.171-0.15920.51720.1138-0.10540.00890.10340.05780.01160.05740.00060.2702-7.91226.887512.6777
300.07220.0173-0.51340.08-0.04933.7345-0.0444-0.05010.0236-0.02270.04660.1820.31490.4417-0.00220.15160.09120.00540.17580.12140.44771.07628.94978.7472
311.8834-0.99680.87315.42013.65423.86940.1507-0.17390.0340.30610.4626-0.8160.38180.2123-0.61330.37060.08050.09270.27120.04450.73191.8946-5.308619.4151
322.40135.9027-1.934616.4297-6.351624.9186-0.0011-0.701-0.33870.1148-1.0574-1.3625-0.94861.82711.05850.1120.02410.0330.5926-0.00490.32481.52833.831622.8524
335.7849-1.89494.10394.71724.363310.8651-0.3750.44770.6099-0.1244-0.0174-0.2465-0.62360.48230.39240.18290.06260.04890.10970.0830.43510.407410.09686.6476
340.815-0.44550.07840.2835-0.28761.8838-0.08630.02890.03980.0845-0.0558-0.0845-0.4720.16250.14210.22750.0560.00920.11280.0180.3525-0.375511.02329.391
350.7606-0.00220.04322.18162.48483.7392-0.0714-0.2111-0.00410.0211-0.08140.17390.0781-0.19950.15280.09270.04740.05890.11820.0460.3506-11.81023.179318.075
3619.3187-0.76928.88223.3751-6.550215.78310.0707-0.20471.62350.6805-0.27870.3066-1.07180.43160.20790.3121-0.02540.08850.0422-0.10330.4913-7.765514.312422.6007
373.1798-0.9019-0.37639.079-2.27442.4801-0.4603-0.49210.73171.31230.4114-0.2429-0.22370.40590.04890.33080.0891-0.07930.1997-0.04960.392730.297966.211945.5458
383.54440.1341-1.22148.8309-12.059616.78920.20650.29770.04-0.4009-0.5934-0.26850.540.71420.38690.25270.04770.01660.1193-0.0160.488235.309458.337636.9101
399.4371-0.6293.39936.59676.17747.48190.5348-0.17210.6765-0.7489-0.1359-0.7189-0.498-0.2047-0.39890.40170.22150.09850.21430.07360.411135.641440.998442.2133
403.0251-1.3715-1.0563.82170.70220.42920.03950.0262-0.1691-0.3615-0.0673-0.13610.04130.04980.02780.21680.09390.01230.1048-0.00690.312433.327345.49335.3271
412.60650.3235-2.56458.64420.49832.6035-0.0017-0.23860.01040.20630.0649-0.69240.03320.256-0.06320.10210.072-0.05480.08920.01090.276130.694456.068327.8915
420.4678-1.1983-2.40554.09864.486815.12380.00920.01770.064-0.05390.1548-0.24380.0816-0.382-0.1640.07620.04420.0340.1051-0.04710.360121.720358.115131.7611
430.8203-2.05373.44755.3818-8.873614.73570.1716-0.1591-0.058-0.85780.29130.36151.221-0.6008-0.46290.71880.0651-0.02540.2589-0.08650.782320.490943.753321.2643
442.0616-2.2389-2.691311.65476.827820.94380.32540.54920.0156-0.0969-0.60660.5661-0.202-0.90850.28120.09460.06760.03240.1607-0.0360.328521.677652.359717.3563
454.2517-3.1371-0.13169.90660.23529.8771-0.2628-0.27380.522-0.32060.15390.3691-0.9084-0.06360.10890.17420.0341-0.00060.0531-0.05590.392813.110858.557233.5039
461.21430.1142-0.34080.14950.4471.9297-0.02470.06750.0597-0.0618-0.02770.093-0.2356-0.10860.05240.15040.06320.02030.0597-0.01020.374123.697160.49831.0545
471.9446-0.1024-0.50342.2901-1.74311.5471-0.0630.06380.1353-0.0022-0.1469-0.26330.09820.15980.20990.13280.11120.05010.1335-0.01290.336434.496652.346922.4535
4818.62452.22192.44630.78882.825412.7477-0.0838-0.23961.3021-0.2453-0.13110.1101-1.0219-0.50840.2150.26640.08740.11470.03990.06460.584530.652663.434217.9634
4914.8315-2.2275-2.05623.6003-0.68976.2812-0.2193-0.61710.67470.51280.1507-0.0821-0.56810.22680.06860.2660.0490.05260.0522-0.05470.383923.786716.15641.9722
5010.264.5399-2.01445.0708-7.231113.5239-0.0830.4711-0.0004-0.5744-0.6011-0.3421.14451.5780.68420.20510.15260.08350.2585-0.00360.429229.49928.656635.5785
512.4603-0.4047-4.98166.799811.777130.74680.139-0.22680.0335-0.34140.1753-0.1548-1.29020.5378-0.31440.14520.04940.05130.15690.02590.471534.1342-9.632136.4117
523.0227-1.4261-1.18632.47820.66953.1629-0.0880.03430.1120.1970.0732-0.2601-0.00920.29030.01490.052-0.00450.01110.0388-0.01140.30629.7851-1.065436.1449
533.95291.5554-1.56980.6528-0.22264.54230.16370.09240.09440.06170.02870.0331-0.1460.0071-0.19240.04240.02940.03630.1070.02830.324625.36735.182726.3489
541.14310.97761.3241.29473.258312.09750.17230.1070.12860.1717-0.0042-0.05620.2681-0.3409-0.16810.13110.11560.01080.13460.0510.373116.22775.370330.3941
5513.74112.2637-16.892623.4373-24.376927.7142-0.38420.530.00150.36450.71170.43240.0298-0.906-0.32740.5162-0.14480.03240.4099-0.06350.411418.6206-9.653321.4976
5618.692-14.028-4.103814.09250.66762.56451.05871.8555-0.7503-1.1204-1.06740.8614-0.0916-0.6890.00870.37230.162-0.05640.4496-0.17840.362617.7953-2.302716.0188
5711.8653-1.5068-0.38960.493-1.22325.39830.27920.2090.7310.16180.0636-0.0178-0.8351-0.4767-0.34280.25940.0690.06320.2038-0.05240.44635.93325.988531.9058
581.54411.2135-0.04670.9895-0.32362.4098-0.09180.20170.3845-0.05440.20720.3366-0.0792-0.4149-0.11540.1190.07390.03840.17530.03460.404915.87866.053529.0337
599.3505-7.1844-5.17215.72874.39993.7426-0.02850.18780.73920.1276-0.0275-0.35860.19330.09090.0560.14980.14210.01720.17110.02180.37325.94520.16735.2598
606.5603-1.81841.84512.1039-0.21823.80190.13310.52770.4086-0.337-0.3393-0.07520.1656-0.03960.20620.10910.07270.05120.15870.04680.31928.08095.743616.5427
616.8404-2.02784.678918.7565-2.05566.8348-0.1375-0.04060.00480.1599-0.0482-0.7512-0.12740.42910.18570.18970.11820.08240.19360.060.325718.57021.6246-1.1378
629.0931-1.8481-13.2170.98791.290322.4549-0.72760.1069-0.6098-0.31030.00330.14732.0214-0.31410.72430.47650.07390.12010.1650.03350.496610.7491-8.6226-0.7087
632.90553.2766-0.90366.3877-1.69851.689-0.1334-0.171-0.3724-0.2855-0.12260.06640.44130.2490.2560.25870.10120.04020.06810.02480.40180.5983-12.50721.4905
641.73720.6218-0.0983.69670.13594.6631-0.2463-0.1493-0.6198-0.3193-0.0527-0.43590.49720.51470.29910.41790.12830.07210.12240.00350.36836.4045-9.1697-11.6461
657.62590.70722.512811.86440.51040.9444-0.0470.3361-0.068-0.53970.1744-0.2890.12510.1887-0.12740.30250.10860.00450.0968-0.02980.34936.21163.7653-8.6438
663.73577.65690.845920.6429-3.8288.0288-0.4322-0.40950.0397-1.3945-0.31050.3870.7628-0.65540.74270.53870.14920.09070.18530.00830.7601-2.2976-8.5643-17.1573
6729.80449.2865-16.38473.0168-5.09079.0096-0.53752.7971.5648-0.56861.24510.560.3595-1.4975-0.70762.0342-0.0192-0.381.1145-0.01970.916-11.9792-8.9528-16.2373
6810.99710.66252.63470.11840.83066.9866-0.97850.46141.6156-0.1913-0.07570.1912-0.7886-1.07781.05421.02710.0507-0.30970.3985-0.08910.55-2.9044-6.0495-20.9022
697.9845-2.31190.19788.66722.9596.5748-0.1050.43360.8041-1.32090.0767-0.219-0.57370.53910.02820.34270.02890.04170.13710.05890.34380.89239.4638-12.4595
703.00260.5934-0.95471.57191.73974.35860.05650.38590.1971-0.3432-0.008-0.04130.08690.1462-0.04850.33920.16050.0080.1580.07150.27456.4468-0.3701-12.382
712.3963-2.1062-2.494413.01620.33612.90890.0337-0.0304-0.2369-0.4842-0.3471-0.12420.01390.09940.31350.35420.0569-0.02370.1037-0.05730.42482.9346-14.8859-2.1707
727.1876-2.78381.93452.50710.49992.5782-0.19820.1981-0.411-0.63150.0905-0.08250.1391-0.11620.10771.1766-0.19660.40320.366-0.17960.44886.2827-14.8493-23.122
735.83411.1781-3.014515.3951-4.25168.72190.0579-0.0522-0.08560.1397-0.0181.04910.1622-0.5014-0.03990.18580.04730.05650.174-0.03230.3244.125250.862141.6963
7420.70587.0256-24.97275.0333-5.844332.7312-0.952-0.1583-0.86780.3372-0.1608-0.23651.79560.10841.11280.5010.05080.13790.1771-0.06530.48168.856341.023245.1193
7523.6822-21.2257-4.609619.0274.13590.9141-0.8846-0.7456-0.90510.8030.64820.83940.25870.13260.23640.61390.02340.15350.1725-0.0550.597521.073237.269432.1943
761.7921-0.8559-1.3144.47720.52732.0174-0.16590.1205-0.16420.2293-0.0346-0.27250.3656-0.08440.20040.2630.0140.01420.01640.00420.341521.314837.029440.3694
771.2199-0.0586-2.74453.50641.82586.9987-0.18760.3792-0.04240.6117-0.11390.48430.6937-0.8870.30150.49130.01760.10050.18980.02760.43816.118440.090152.169
781.5345-0.66711.19799.0166-4.19672.52710.0151-0.04950.00860.93260.09230.4555-0.36170.0228-0.10740.35430.09760.06480.24420.04090.362518.266349.859851.9358
7921.277915.5725-18.956111.52-13.905516.90021.0144-0.72180.52431.0962-0.5143-0.037-1.1150.5744-0.50011.28380.5423-0.50460.5716-0.09521.786333.300140.524554.8705
8018.6686-2.60917.19771.8717-4.914713.878-0.6217-1.33970.88240.43520.0468-0.3591-0.320.27650.57490.95170.369-0.22640.4006-0.07860.557626.450442.116361.89
8110.21742.10261.99195.643-6.915210.7109-0.2163-0.44681.03750.740.30020.3822-1.0335-0.7255-0.08390.62390.01890.05560.166-0.02830.308922.309757.605652.8574
821.8857-0.8322-0.63081.4780.14125.2341-0.0706-0.37820.05930.61660.020.09910.0586-0.26090.05060.3872-0.04930.05630.1361-0.01850.343415.534148.912653.1123
831.1321-0.7471-1.35521.73390.79721.6447-0.1466-0.2654-0.26390.7773-0.11470.36160.06840.29920.26130.63080.03190.11610.24680.08520.498418.421432.586552.9708
8417.4769-0.0113-3.062.2453.95178.6612-0.5315-1.2360.25150.8547-0.34480.66050.657-0.87460.87631.14490.23470.32950.41130.09870.448514.952438.307764.8933
853.43641.47320.84215.03774.91155.9959-0.19870.0909-0.0316-0.16990.1273-0.9750.02570.44530.07130.14620.06190.0680.21470.00290.447121.708245.2557-1.2188
863.1686-5.3996-2.186410.06466.631111.42630.15640.3988-0.23760.1001-0.8590.53071.4051-0.80650.70270.54460.01120.26350.1849-0.090.360614.144937.113-4.496
871.68627.36671.45232.37246.41421.2814-0.26990.0284-0.3688-2.08580.2527-1.2503-0.41450.03040.01720.62570.1141-0.01540.22060.12581.14250.754933.91957.7492
8813.09455.25091.33697.0584.43573.3120.0070.50030.29480.53630.01580.30130.4932-0.0679-0.02280.26620.0816-0.02640.0760.01460.4052-1.688333.22941.0828
890.5242-0.08981.22313.7931-0.55012.92320.01390.1513-0.071-0.31480.0467-0.33350.16760.3476-0.06060.39080.09090.1040.1411-0.07590.32578.600739.5143-11.4669
902.60592.48094.66352.57694.551410.5805-0.17820.02210.1202-0.3143-0.0103-0.14070.02920.19790.18850.2970.1060.07630.04430.00050.41537.320248.2834-10.8427
9110.7362-5.8026-7.95779.42528.09698.19670.69941.35890.1058-0.9772-0.6966-0.0412-0.8137-1.0245-0.00270.89930.19010.08780.5012-0.02210.7263-9.728842.997-14.0682
9215.9238-0.99076.15735.47151.577710.6704-0.57111.07410.8289-1.13030.27181.0684-0.777-0.29650.29930.54220.0228-0.09860.36990.16620.4499-2.675343.9188-21.1774
9329.8356-22.0631-2.458323.83998.419917.31360.60440.11992.4304-1.5953-1.13860.1323-0.76941.4180.53420.34550.2814-0.14810.6487-0.39510.85127.267359.2238-12.1496
940.64790.17261.45562.30210.53823.4947-0.02090.19830.1249-0.5692-0.0751-0.056-0.25930.36310.0960.34540.13030.08170.12560.04530.28578.379448.4684-11.4932
950.9432.1423-1.348416.0854-0.50572.55010.0619-0.1099-0.264-0.0174-0.3398-1.2135-0.02490.20430.27790.31620.13690.01990.16390.06490.28072.644232.8227-3.4875
962.75-1.36752.12219.1007-5.88499.7353-0.30550.1824-0.411-0.86330.1840.09050.36090.05940.12150.56060.06970.08890.2829-0.07420.26625.178234.0656-24.2841
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A10 - 25
2X-RAY DIFFRACTION2A26 - 34
3X-RAY DIFFRACTION3A35 - 43
4X-RAY DIFFRACTION4A44 - 56
5X-RAY DIFFRACTION5A57 - 75
6X-RAY DIFFRACTION6A76 - 90
7X-RAY DIFFRACTION7A91 - 98
8X-RAY DIFFRACTION8A117 - 126
9X-RAY DIFFRACTION9A127 - 140
10X-RAY DIFFRACTION10A141 - 157
11X-RAY DIFFRACTION11A158 - 168
12X-RAY DIFFRACTION12A169 - 204
13X-RAY DIFFRACTION13B11 - 25
14X-RAY DIFFRACTION14B26 - 34
15X-RAY DIFFRACTION15B35 - 42
16X-RAY DIFFRACTION16B43 - 58
17X-RAY DIFFRACTION17B59 - 75
18X-RAY DIFFRACTION18B76 - 90
19X-RAY DIFFRACTION19B91 - 117
20X-RAY DIFFRACTION20B118 - 126
21X-RAY DIFFRACTION21B127 - 135
22X-RAY DIFFRACTION22B136 - 168
23X-RAY DIFFRACTION23B169 - 186
24X-RAY DIFFRACTION24B187 - 205
25X-RAY DIFFRACTION25C8 - 25
26X-RAY DIFFRACTION26C26 - 34
27X-RAY DIFFRACTION27C35 - 40
28X-RAY DIFFRACTION28C41 - 60
29X-RAY DIFFRACTION29C61 - 75
30X-RAY DIFFRACTION30C76 - 90
31X-RAY DIFFRACTION31C91 - 117
32X-RAY DIFFRACTION32C118 - 126
33X-RAY DIFFRACTION33C127 - 139
34X-RAY DIFFRACTION34C140 - 167
35X-RAY DIFFRACTION35C168 - 194
36X-RAY DIFFRACTION36C195 - 204
37X-RAY DIFFRACTION37D8 - 25
38X-RAY DIFFRACTION38D26 - 34
39X-RAY DIFFRACTION39D35 - 40
40X-RAY DIFFRACTION40D41 - 60
41X-RAY DIFFRACTION41D61 - 75
42X-RAY DIFFRACTION42D76 - 90
43X-RAY DIFFRACTION43D91 - 117
44X-RAY DIFFRACTION44D118 - 126
45X-RAY DIFFRACTION45D127 - 140
46X-RAY DIFFRACTION46D141 - 167
47X-RAY DIFFRACTION47D168 - 194
48X-RAY DIFFRACTION48D195 - 204
49X-RAY DIFFRACTION49E10 - 25
50X-RAY DIFFRACTION50E26 - 35
51X-RAY DIFFRACTION51E36 - 45
52X-RAY DIFFRACTION52E46 - 60
53X-RAY DIFFRACTION53E61 - 75
54X-RAY DIFFRACTION54E76 - 90
55X-RAY DIFFRACTION55E91 - 117
56X-RAY DIFFRACTION56E118 - 125
57X-RAY DIFFRACTION57E126 - 135
58X-RAY DIFFRACTION58E136 - 163
59X-RAY DIFFRACTION59E164 - 175
60X-RAY DIFFRACTION60E176 - 204
61X-RAY DIFFRACTION61F11 - 25
62X-RAY DIFFRACTION62F26 - 37
63X-RAY DIFFRACTION63F38 - 60
64X-RAY DIFFRACTION64F61 - 75
65X-RAY DIFFRACTION65F76 - 85
66X-RAY DIFFRACTION66F86 - 92
67X-RAY DIFFRACTION67F93 - 118
68X-RAY DIFFRACTION68F119 - 126
69X-RAY DIFFRACTION69F127 - 139
70X-RAY DIFFRACTION70F140 - 167
71X-RAY DIFFRACTION71F168 - 179
72X-RAY DIFFRACTION72F180 - 204
73X-RAY DIFFRACTION73G11 - 25
74X-RAY DIFFRACTION74G26 - 33
75X-RAY DIFFRACTION75G34 - 40
76X-RAY DIFFRACTION76G41 - 60
77X-RAY DIFFRACTION77G61 - 75
78X-RAY DIFFRACTION78G76 - 90
79X-RAY DIFFRACTION79G91 - 117
80X-RAY DIFFRACTION80G118 - 126
81X-RAY DIFFRACTION81G127 - 140
82X-RAY DIFFRACTION82G141 - 167
83X-RAY DIFFRACTION83G168 - 192
84X-RAY DIFFRACTION84G193 - 204
85X-RAY DIFFRACTION85H10 - 25
86X-RAY DIFFRACTION86H26 - 34
87X-RAY DIFFRACTION87H35 - 40
88X-RAY DIFFRACTION88H41 - 56
89X-RAY DIFFRACTION89H57 - 75
90X-RAY DIFFRACTION90H76 - 90
91X-RAY DIFFRACTION91H91 - 117
92X-RAY DIFFRACTION92H118 - 126
93X-RAY DIFFRACTION93H127 - 135
94X-RAY DIFFRACTION94H136 - 167
95X-RAY DIFFRACTION95H168 - 179
96X-RAY DIFFRACTION96H180 - 204

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