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- PDB-5tsu: Active conformation for Engineered human cystathionine gamma lyas... -

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ID or keywords:

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Basic information

Entry
Database: PDB / ID: 5tsu
TitleActive conformation for Engineered human cystathionine gamma lyase (E59N, R119L, E339V) to depleting methionine
Components(Cystathionine gamma- ...) x 2
KeywordsLYASE / Engineered protein / methioninase / inactive form
Function / homology
Function and homology information


protein sulfhydration / selenocystathionine gamma-lyase activity / positive regulation of aortic smooth muscle cell differentiation / protein-pyridoxal-5-phosphate linkage via peptidyl-N6-pyridoxal phosphate-L-lysine / homocysteine desulfhydrase / homocysteine desulfhydrase activity / Cysteine formation from homocysteine / cystathionine gamma-lyase / L-cystine L-cysteine-lyase (deaminating) / Degradation of cysteine and homocysteine ...protein sulfhydration / selenocystathionine gamma-lyase activity / positive regulation of aortic smooth muscle cell differentiation / protein-pyridoxal-5-phosphate linkage via peptidyl-N6-pyridoxal phosphate-L-lysine / homocysteine desulfhydrase / homocysteine desulfhydrase activity / Cysteine formation from homocysteine / cystathionine gamma-lyase / L-cystine L-cysteine-lyase (deaminating) / Degradation of cysteine and homocysteine / cystathionine gamma-lyase activity / Metabolism of ingested SeMet, Sec, MeSec into H2Se / cysteine biosynthetic process via cystathionine / hydrogen sulfide biosynthetic process / L-cysteine desulfhydrase activity / cysteine biosynthetic process / cysteine metabolic process / transsulfuration / negative regulation of apoptotic signaling pathway / endoplasmic reticulum unfolded protein response / cellular response to leukemia inhibitory factor / lipid metabolic process / pyridoxal phosphate binding / protein homotetramerization / positive regulation of canonical NF-kappaB signal transduction / calmodulin binding / extracellular exosome / identical protein binding / cytosol / cytoplasm
Similarity search - Function
: / Cys/Met metabolism enzymes pyridoxal-phosphate attachment site. / Cys/Met metabolism, pyridoxal phosphate-dependent enzyme / Cys/Met metabolism PLP-dependent enzyme / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase; domain 2 / Type I PLP-dependent aspartate aminotransferase-like (Major domain) / Pyridoxal phosphate-dependent transferase, small domain / Pyridoxal phosphate-dependent transferase, major domain ...: / Cys/Met metabolism enzymes pyridoxal-phosphate attachment site. / Cys/Met metabolism, pyridoxal phosphate-dependent enzyme / Cys/Met metabolism PLP-dependent enzyme / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase, domain 1 / Aspartate Aminotransferase; domain 2 / Type I PLP-dependent aspartate aminotransferase-like (Major domain) / Pyridoxal phosphate-dependent transferase, small domain / Pyridoxal phosphate-dependent transferase, major domain / Pyridoxal phosphate-dependent transferase / Alpha-Beta Complex / 3-Layer(aba) Sandwich / Alpha Beta
Similarity search - Domain/homology
CYSTEINE / Chem-LPI / METHIONINE / Cystathionine gamma-lyase
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.2 Å
AuthorsYan, W. / Zhang, Y.
Funding support United States, 3items
OrganizationGrant numberCountry
National Institutes of Health/National Cancer Institute (NIH/NCI)CA154754 United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)GM104896 United States
Welch FoundationF-1778 United States
CitationJournal: Biochemistry / Year: 2017
Title: Structural Snapshots of an Engineered Cystathionine-gamma-lyase Reveal the Critical Role of Electrostatic Interactions in the Active Site.
Authors: Yan, W. / Stone, E. / Zhang, Y.J.
History
DepositionOct 31, 2016Deposition site: RCSB / Processing site: RCSB
Revision 1.0Oct 11, 2017Provider: repository / Type: Initial release
Revision 1.1Nov 27, 2019Group: Author supporting evidence / Category: pdbx_audit_support
Revision 1.2Oct 4, 2023Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_conn
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr2_auth_comp_id / _struct_conn.ptnr2_auth_seq_id / _struct_conn.ptnr2_label_asym_id / _struct_conn.ptnr2_label_atom_id / _struct_conn.ptnr2_label_comp_id / _struct_conn.ptnr2_label_seq_id
Revision 1.3Nov 15, 2023Group: Data collection / Category: chem_comp_atom / chem_comp_bond / Item: _chem_comp_atom.atom_id / _chem_comp_bond.atom_id_2
Revision 1.4Dec 25, 2024Group: Advisory / Derived calculations / Structure summary
Category: pdbx_entry_details / pdbx_modification_feature ...pdbx_entry_details / pdbx_modification_feature / pdbx_validate_close_contact / struct_conn

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Cystathionine gamma-lyase
B: Cystathionine gamma-lyase
C: Cystathionine gamma-lyase
D: Cystathionine gamma-lyase
E: Cystathionine gamma-lyase
F: Cystathionine gamma-lyase
G: Cystathionine gamma-lyase
H: Cystathionine gamma-lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)373,77817
Polymers372,2168
Non-polymers1,5629
Water18,2311012
1
A: Cystathionine gamma-lyase
B: Cystathionine gamma-lyase
C: Cystathionine gamma-lyase
D: Cystathionine gamma-lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)186,9269
Polymers186,1084
Non-polymers8185
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area18570 Å2
ΔGint-164 kcal/mol
Surface area45240 Å2
MethodPISA
2
E: Cystathionine gamma-lyase
F: Cystathionine gamma-lyase
G: Cystathionine gamma-lyase
H: Cystathionine gamma-lyase
hetero molecules


Theoretical massNumber of molelcules
Total (without water)186,8528
Polymers186,1084
Non-polymers7444
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area17880 Å2
ΔGint-118 kcal/mol
Surface area45380 Å2
MethodPISA
Unit cell
Length a, b, c (Å)111.889, 163.683, 181.099
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP22121

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Components

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Cystathionine gamma- ... , 2 types, 8 molecules ABDFGHCE

#1: Protein
Cystathionine gamma-lyase / Cysteine-protein sulfhydrase / Gamma-cystathionase


Mass: 46584.027 Da / Num. of mol.: 6 / Mutation: E59N, R119L, E339V
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CTH / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P32929, cystathionine gamma-lyase
#2: Protein Cystathionine gamma-lyase / Cysteine-protein sulfhydrase / Gamma-cystathionase


Mass: 46355.910 Da / Num. of mol.: 2 / Mutation: E59N, R119L, E339V
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: CTH / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: P32929, cystathionine gamma-lyase

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Non-polymers , 5 types, 1021 molecules

#3: Chemical ChemComp-MET / METHIONINE


Type: L-peptide linking / Mass: 149.211 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C5H11NO2S
#4: Chemical ChemComp-SO4 / SULFATE ION


Mass: 96.063 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: SO4
#5: Chemical ChemComp-LPI / N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine


Mass: 380.354 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C13H21N2O7PS
#6: Chemical ChemComp-CYS / CYSTEINE


Type: L-peptide linking / Mass: 121.158 Da / Num. of mol.: 3 / Source method: obtained synthetically / Formula: C3H7NO2S
#7: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1012 / Source method: isolated from a natural source / Formula: H2O

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Details

Has protein modificationY

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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: 2.24 Å3/Da / Density % sol: 45.07 %
Crystal growTemperature: 277 K / Method: vapor diffusion, sitting drop / pH: 6.5
Details: 100mM Sodium Cocadylate PH6.5 150mM Sodium Cirtate 305 Isopropanol
PH range: 6.0-7.0

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ALS / Beamline: 5.0.3 / Wavelength: 0.97741 Å
DetectorType: ADSC QUANTUM 315r / Detector: CCD / Date: Oct 9, 2015
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.97741 Å / Relative weight: 1
ReflectionResolution: 2.2→50 Å / Num. obs: 161429 / % possible obs: 95.9 % / Redundancy: 5.1 % / Rmerge(I) obs: 0.097 / Rsym value: 0.097 / Net I/σ(I): 18.784

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Processing

Software
NameVersionClassification
PHENIX(1.10.1_2155: ???)refinement
HKL-2000data reduction
HKL-2000data scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 2nmp

2nmp


Resolution: 2.2→49.041 Å / SU ML: 0.22 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 20.44 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.2017 8037 4.99 %
Rwork0.171 --
obs0.1725 161395 96.09 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.2→49.041 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms23873 0 93 1012 24978
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00424504
X-RAY DIFFRACTIONf_angle_d0.70333259
X-RAY DIFFRACTIONf_dihedral_angle_d13.89914577
X-RAY DIFFRACTIONf_chiral_restr0.053805
X-RAY DIFFRACTIONf_plane_restr0.0054238
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.2-2.22390.26374650.23659180X-RAY DIFFRACTION89
2.2239-2.25010.28575670.23449963X-RAY DIFFRACTION97
2.2501-2.27750.26915890.226410010X-RAY DIFFRACTION97
2.2775-2.30640.24024910.21410102X-RAY DIFFRACTION97
2.3064-2.33670.28455120.211110119X-RAY DIFFRACTION97
2.3367-2.36870.23355220.205510049X-RAY DIFFRACTION97
2.3687-2.40260.24645970.207210014X-RAY DIFFRACTION98
2.4026-2.43840.22665070.200710172X-RAY DIFFRACTION98
2.4384-2.47650.23895550.201810077X-RAY DIFFRACTION97
2.4765-2.51710.22985370.19110079X-RAY DIFFRACTION98
2.5171-2.56050.22165560.194310050X-RAY DIFFRACTION97
2.5605-2.60710.21955450.195410101X-RAY DIFFRACTION97
2.6071-2.65720.22255370.187110012X-RAY DIFFRACTION97
2.6572-2.71150.24734990.191210073X-RAY DIFFRACTION97
2.7115-2.77040.23515590.19310040X-RAY DIFFRACTION97
2.7704-2.83490.22245500.180210014X-RAY DIFFRACTION97
2.8349-2.90570.2265390.184310062X-RAY DIFFRACTION97
2.9057-2.98430.19825080.180410001X-RAY DIFFRACTION97
2.9843-3.07210.22414900.186610011X-RAY DIFFRACTION97
3.0721-3.17120.22065350.179710014X-RAY DIFFRACTION97
3.1712-3.28460.18995130.17910015X-RAY DIFFRACTION96
3.2846-3.4160.20014830.16669972X-RAY DIFFRACTION96
3.416-3.57150.20955430.16189875X-RAY DIFFRACTION96
3.5715-3.75970.1884930.16129951X-RAY DIFFRACTION96
3.7597-3.99520.16774660.1499940X-RAY DIFFRACTION95
3.9952-4.30350.15784700.14439794X-RAY DIFFRACTION94
4.3035-4.73620.17034870.13899750X-RAY DIFFRACTION94
4.7362-5.42080.17125410.1489683X-RAY DIFFRACTION94
5.4208-6.82670.19534970.16729632X-RAY DIFFRACTION93
6.8267-49.05320.17615080.15399450X-RAY DIFFRACTION91
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)
11.27270.0212-0.00720.9473-0.05461.86040.01850.0133-0.0138-0.149-0.00470.1743-0.0943-0.44340.010.27010.0482-0.00560.3369-0.01760.347589.022949.3748224.577
23.1869-0.0575-0.61680.467-0.26040.4209-0.149-0.86390.26080.49780.1742-0.4636-0.72370.170.03870.60660.0036-0.06510.3103-0.07750.4305104.502268.0728236.5455
31.016-0.13720.06050.771-0.59931.5605-0.0293-0.25680.12860.16530.01940.0963-0.3599-0.2197-0.00060.34730.05060.00830.2813-0.03750.327896.14556.576237.1049
41.1023-0.27480.57380.54310.04651.6715-0.0766-0.28760.07040.15450.06070.01380.0230.0054-0.00010.3118-0.00280.0090.33270.01760.2806107.744341.1204245.8929
52.3757-0.22540.19761.3024-0.15793.4235-0.0407-0.21550.4258-0.0532-0.0153-0.1364-0.71260.5239-0.01140.4222-0.1075-0.00380.3404-0.01350.351119.889648.693237.6899
62.5708-0.63680.31890.97390.53173.4619-0.063-0.28390.25420.05760.1151-0.3276-0.36110.4393-0.00150.3307-0.0669-0.01390.3212-0.00870.2793120.26943.4239240.869
70.82810.132-0.13520.6958-0.36572.18080.0090.04630.06070.0027-0.0424-0.0744-0.30380.25020.00120.3571-0.0367-0.00490.21790.00840.3173114.552355.1303208.0378
82.79950.70860.27061.62730.10151.8635-0.25680.17130.5972-0.18890.05610.326-0.8288-0.2694-0.22250.77570.1228-0.11230.19030.01970.487297.965277.7188215.1255
92.9892.26170.78063.2685-0.20931.68990.2352-0.65081.0931-0.0913-0.7310.3371-1.6934-0.8843-1.57551.61450.20830.0665-0.05050.10430.682100.706581.8474204.1889
100.4755-0.2942-0.20550.4578-0.0412.0873-0.01770.03940.1846-0.1397-0.00180.021-0.5454-0.1079-0.0060.48050.0265-0.02330.16570.02230.35104.690264.3939207.385
111.2125-0.258-0.39591.17470.31510.8914-0.30220.27880.40470.05490.26060.4964-0.8756-0.33130.00370.80250.2047-0.09470.440.1440.563990.682772.2596188.724
121.69390.15880.36042.6895-1.49181.3988-0.0793-0.13780.47160.48830.150.5617-0.568-0.90660.02890.6930.32240.05750.7520.05310.624580.968565.2286197.3024
131.14180.2071-0.00980.6823-0.35941.53180.04760.0038-0.03790.03940.05850.17780.0498-0.73220.00010.3353-0.0064-0.01950.4373-0.02670.401488.745839.8575199.7125
141.83170.14550.30351.5411-0.41861.754-0.00830.5427-0.2625-0.2302-0.0106-0.13080.62770.0639-0.00080.4692-0.0155-0.00660.3677-0.0870.361105.506622.5303186.086
150.6833-0.1157-0.00030.8222-0.42361.83620.0080.2353-0.1416-0.16810.03510.02840.2209-0.23880.00110.3097-0.034-0.03540.2953-0.04590.3134100.348632.0967187.2355
160.81710.19070.2811.335-0.15841.7429-0.02210.41030.0369-0.2112-0.0204-0.0528-0.17370.0717-0.00010.3213-0.0046-0.01690.38750.02250.2599113.750546.1797175.2238
172.3090.3268-0.28730.39980.57833.4576-0.07730.2392-0.28170.1187-0.0285-0.11260.28170.2925-0.00010.3271-0.00710.00040.34530.02470.295122.098941.0176186.51
180.3143-0.2384-0.20510.49250.11410.48250.08360.04950.94270.1796-0.0871-0.6649-0.31530.61060.02450.5008-0.075-0.00610.47320.10480.4356129.578853.1038183.7706
190.71730.7380.7857-0.0466-0.22811.82490.0477-0.0405-0.0709-0.1147-0.1456-0.07490.24270.46640.00030.3060.05160.0190.23440.01440.3143116.391234.7563219.1961
201.2048-0.33940.79122.0378-0.13752.70410.10960.0519-0.2978-0.2427-0.0293-0.12770.50570.07850.00770.37210.02470.00310.1751-0.02180.3202110.368121.154208.6878
211.4980.19070.07340.46420.73261.15820.0963-0.2546-0.5273-0.23450.24410.27841.2504-0.64830.18290.8394-0.1549-0.09120.3074-0.00320.643999.15485.2695206.9256
220.8335-0.30470.23160.9063-0.14492.18980.07220.0547-0.3101-0.1242-0.02770.140.5120.01620.0360.4103-0.011-0.04060.1834-0.01380.3947106.948417.1243215.4453
231.7159-0.8121-0.52832.44590.55931.5254-0.0767-0.0997-0.73410.00860.02421.00360.3966-0.49670.01690.4775-0.1614-0.01290.41020.08750.738388.084416.5486229.2504
241.6873-0.90990.41872.2891-1.6271.3553-0.07350.3142-0.5967-0.52530.01131.16340.4979-0.6122-0.01280.5394-0.187-0.06490.61880.01310.866182.587418.8617224.3111
251.44570.0877-0.23061.1655-0.43952.4815-0.1333-0.09370.2249-0.08050.06080.0257-0.37710.0808-00.3188-0.0379-0.02090.4035-0.01150.4573145.086845.7356223.084
260.8024-0.63890.42180.6946-0.19010.37-0.1131-0.26240.52150.1525-0.0198-0.008-0.92640.4734-0.02520.6146-0.2337-0.07690.52-0.08570.5521155.002859.3343230.5861
271.3072-0.5824-0.40491.04-0.35050.3426-0.0746-0.57280.59310.2903-0.0373-0.1864-0.90961.0136-0.06770.8888-0.4504-0.11861.1244-0.25040.8135168.239365.4523239.4355
281.71660.53890.39340.7126-0.40031.9074-0.1189-0.36610.5580.10440.00710.0449-0.60160.4850.0010.451-0.1178-0.04990.6018-0.10650.5428156.967854.7124234.912
291.7273-0.0841-0.17710.0131-0.3720.4647-0.0618-0.85650.05210.1603-0.0256-0.1743-0.0440.5111-0.00660.32760.0077-0.03040.9681-0.00160.3696166.943638.9668245.3576
303.8170.1628-0.31040.71350.63152.86090.0214-0.40840.1643-0.157-0.0691-0.1775-0.19270.5286-0.02020.3018-0.0213-0.03550.98250.03340.4297179.210441.2719237.0049
311.0358-0.0988-0.26571.0284-0.27651.85520.05540.19810.2463-0.0941-0.2087-0.2348-0.18631.3203-0.03650.3945-0.2133-0.02431.17960.12990.5107172.261848.8326205.7585
321.6747-0.38760.02721.46330.14582.05860.10610.4920.9530.0407-0.23270.1123-1.5980.4664-0.2671.2223-0.5263-0.04930.67050.13380.961161.196274.1936213.1602
331.8759-0.3642-0.12640.0666-0.77861.9285-0.03370.08650.78750.0937-0.0951-0.079-0.90840.7855-0.24390.7456-0.4955-0.09290.84960.12610.7311165.250166.4747206.1277
341.35660.4195-0.57250.94270.22821.1581-0.03130.65870.6636-0.209-0.0808-0.0624-0.70650.5863-0.11380.7172-0.3109-0.08760.73850.28430.661152.765665.4363189.0815
351.0140.670.54380.9233-0.44931.6453-0.2390.0480.57060.27970.14420.0815-0.85210.064-0.00220.7444-0.1345-0.03680.520.13310.6044139.602863.9453197.0683
363.33280.34820.02431.9432-0.71881.5233-0.087-0.03860.75280.4136-0.04890.2383-0.6321-0.0461-0.00070.7953-0.1369-0.06440.57850.11880.6738140.803765.1853197.1649
371.4028-0.33460.57150.8195-0.39541.3488-0.10570.37790.0215-0.04750.17560.141-0.0609-0.05090.00040.3386-0.0437-0.02570.52420.02790.4275142.254539.084202.6102
381.3852-0.20450.55571.3118-0.50552.34270.13150.7909-0.4693-0.4674-0.0820.00881.09610.68910.02740.8420.2173-0.00260.844-0.21830.5371152.389316.9911187.5004
390.30990.117-0.0750.7255-0.17960.34440.26321.1895-0.8144-0.5831-0.0915-0.16820.36190.50240.00230.63360.1247-0.0161.0695-0.16410.5559153.445624.3201177.222
401.0475-0.72670.1210.3037-0.54642.24490.02740.5413-0.1917-0.1730.00980.12230.38890.34040.00050.44560.0305-0.00650.7262-0.06330.4524149.079727.8999191.7857
412.56340.3081-0.37110.38680.35053.6672-0.08170.7082-0.293-0.0979-0.0544-0.17010.46191.0074-0.01720.47180.09110.03171.24040.0440.5117168.624634.9141183.1825
422.06420.33620.34030.5840.14863.6948-0.04431.12140.068-0.51560.4531-0.79440.58141.39650.4180.36330.00520.11371.9203-0.00810.5152182.369938.4464181.4181
431.24920.06360.89220.9289-0.38281.23970.05030.0888-0.0922-0.1576-0.0816-0.07020.19671.15830.00180.37550.19080.02071.00410.00580.4496169.409328.2397216.1659
440.3331-0.0738-0.23461.1579-0.98571.37360.07960.2366-0.4416-0.440.0238-0.16341.11831.01070.01190.64840.36950.00040.6191-0.0880.5658159.489513.7369211.1538
450.9556-0.2945-0.4150.623-0.56840.8953-0.0902-0.2735-0.9450.05850.31710.28551.1608-0.05980.00781.11750.1159-0.04550.5344-0.00571.037146.84632.7752212.3156
461.6556-0.10310.15130.57280.08362.258-0.02840.0778-0.4918-0.10660.00630.04360.7490.67420.01850.55520.29510.01770.5343-0.03340.5551157.084914.0565217.625
471.4436-0.4149-0.28170.508-0.27071.9443-0.0867-0.3146-0.58740.0586-0.0583-0.06880.5390.4004-0.00240.45860.1426-0.00850.43990.08870.5054147.532917.8883235.0146
484.02580.34-0.612.7346-0.94493.3878-0.12460.2264-0.5555-0.18230.09990.06790.5057-0.0103-0.00840.36730.0294-0.00270.2887-0.00280.4048134.736522.0631228.2226
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1(chain A and resid 10:105)
2X-RAY DIFFRACTION2(chain A and resid 106:131)
3X-RAY DIFFRACTION3(chain A and resid 132:258)
4X-RAY DIFFRACTION4(chain A and resid 259:309)
5X-RAY DIFFRACTION5(chain A and resid 310:363)
6X-RAY DIFFRACTION6(chain A and resid 364:501)
7X-RAY DIFFRACTION7(chain B and resid 10:78)
8X-RAY DIFFRACTION8(chain B and resid 79:157)
9X-RAY DIFFRACTION9(chain B and resid 158:181)
10X-RAY DIFFRACTION10(chain B and resid 182:267)
11X-RAY DIFFRACTION11(chain B and resid 268:309)
12X-RAY DIFFRACTION12(chain B and resid 310:399)
13X-RAY DIFFRACTION13(chain C and resid 10:75)
14X-RAY DIFFRACTION14(chain C and resid 76:144)
15X-RAY DIFFRACTION15(chain C and resid 145:267)
16X-RAY DIFFRACTION16(chain C and resid 268:309)
17X-RAY DIFFRACTION17(chain C and resid 310:386)
18X-RAY DIFFRACTION18(chain C and resid 387:400)
19X-RAY DIFFRACTION19(chain D and resid 10:53)
20X-RAY DIFFRACTION20(chain D and resid 56:113)
21X-RAY DIFFRACTION21(chain D and resid 114:144)
22X-RAY DIFFRACTION22(chain D and resid 145:264)
23X-RAY DIFFRACTION23(chain D and resid 265:344)
24X-RAY DIFFRACTION24(chain D and resid 345:399)
25X-RAY DIFFRACTION25(chain E and resid 10:72)
26X-RAY DIFFRACTION26(chain E and resid 73:106)
27X-RAY DIFFRACTION27(chain E and resid 107:149)
28X-RAY DIFFRACTION28(chain E and resid 150:257)
29X-RAY DIFFRACTION29(chain E and resid 258:309)
30X-RAY DIFFRACTION30(chain E and resid 310:400)
31X-RAY DIFFRACTION31(chain F and resid 10:81)
32X-RAY DIFFRACTION32(chain F and resid 82:144)
33X-RAY DIFFRACTION33(chain F and resid 145:256)
34X-RAY DIFFRACTION34(chain F and resid 257:309)
35X-RAY DIFFRACTION35(chain F and resid 310:344)
36X-RAY DIFFRACTION36(chain F and resid 345:501)
37X-RAY DIFFRACTION37(chain G and resid 10:73)
38X-RAY DIFFRACTION38(chain G and resid 74:157)
39X-RAY DIFFRACTION39(chain G and resid 158:177)
40X-RAY DIFFRACTION40(chain G and resid 178:250)
41X-RAY DIFFRACTION41(chain G and resid 251:387)
42X-RAY DIFFRACTION42(chain G and resid 388:501)
43X-RAY DIFFRACTION43(chain H and resid 10:72)
44X-RAY DIFFRACTION44(chain H and resid 73:106)
45X-RAY DIFFRACTION45(chain H and resid 107:152)
46X-RAY DIFFRACTION46(chain H and resid 153:255)
47X-RAY DIFFRACTION47(chain H and resid 256:309)
48X-RAY DIFFRACTION48(chain H and resid 310:501)

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