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- PDB-7alq: human GCH-GFRP inhibitory complex 7-deaza-GTP bound -

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Basic information

Entry
Database: PDB / ID: 7alq
Titlehuman GCH-GFRP inhibitory complex 7-deaza-GTP bound
Components(GTP cyclohydrolase ...GTP cyclohydrolase I) x 2
KeywordsHYDROLASE / GTP cyclohydrolase 1 / GTPCH1 / GTP cyclohydrolase I regulatory protein / GFRP / allosteric regulation / complex / allosteric regulator
Function / homology
Function and homology information


GTP cyclohydrolase binding / pteridine-containing compound biosynthetic process / regulation of lung blood pressure / GTP cyclohydrolase I / GTP cyclohydrolase I activity / : / neuromuscular process controlling posture / negative regulation of biosynthetic process / regulation of removal of superoxide radicals / GTP-dependent protein binding ...GTP cyclohydrolase binding / pteridine-containing compound biosynthetic process / regulation of lung blood pressure / GTP cyclohydrolase I / GTP cyclohydrolase I activity / : / neuromuscular process controlling posture / negative regulation of biosynthetic process / regulation of removal of superoxide radicals / GTP-dependent protein binding / tetrahydrobiopterin biosynthetic process / neuron projection terminus / regulation of nitric oxide biosynthetic process / dopamine biosynthetic process / mitogen-activated protein kinase binding / negative regulation of cardiac muscle cell apoptotic process / response to pain / positive regulation of heart rate / response to type II interferon / negative regulation of cellular senescence / response to tumor necrosis factor / Tetrahydrobiopterin (BH4) synthesis, recycling, salvage and regulation / tetrahydrofolate biosynthetic process / positive regulation of telomere maintenance via telomerase / nitric oxide biosynthetic process / negative regulation of blood pressure / positive regulation of nitric-oxide synthase activity / regulation of blood pressure / vasodilation / positive regulation of neuron apoptotic process / melanosome / cytoplasmic vesicle / protein-containing complex assembly / nuclear membrane / response to lipopolysaccharide / GTPase activity / dendrite / calcium ion binding / protein-containing complex binding / GTP binding / protein homodimerization activity / protein-containing complex / mitochondrion / zinc ion binding / nucleoplasm / identical protein binding / nucleus / cytosol / cytoplasm
Similarity search - Function
GTP cyclohydrolase I, feedback regulatory protein / GFRP superfamily / GTP cyclohydrolase I feedback regulatory protein (GFRP) / GTP cyclohydrolase I signature 2. / GTP cyclohydrolase I / GTP cyclohydrolase I, conserved site / GTP cyclohydrolase I domain / GTP cyclohydrolase I, N-terminal domain / GTP cyclohydrolase I / GTP cyclohydrolase I signature 1. / GTP cyclohydrolase I, C-terminal/NADPH-dependent 7-cyano-7-deazaguanine reductase
Similarity search - Domain/homology
7,8-DIHYDROBIOPTERIN / : / 7-deaza-GTP / GTP cyclohydrolase 1 feedback regulatory protein / GTP cyclohydrolase 1
Similarity search - Component
Biological speciesHomo sapiens (human)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.205 Å
AuthorsEbenhoch, R. / Nar, H.
CitationJournal: J.Struct.Biol. / Year: 2021
Title: Biophysical and structural investigation of the regulation of human GTP cyclohydrolase I by its regulatory protein GFRP.
Authors: Ebenhoch, R. / Bauer, M. / Reinert, D. / Kersting, A. / Huber, S. / Schmid, A. / Hinz, I. / Feiler, M. / Muller, K. / Nar, H.
History
DepositionOct 7, 2020Deposition site: PDBE / Processing site: PDBE
Revision 1.0Oct 20, 2021Provider: repository / Type: Initial release
Revision 2.0May 4, 2022Group: Atomic model / Database references
Category: atom_site / atom_site_anisotrop ...atom_site / atom_site_anisotrop / citation / citation_author
Item: _atom_site.B_iso_or_equiv / _atom_site.Cartn_x ..._atom_site.B_iso_or_equiv / _atom_site.Cartn_x / _atom_site.Cartn_y / _atom_site.Cartn_z / _atom_site_anisotrop.U[1][1] / _atom_site_anisotrop.U[1][2] / _atom_site_anisotrop.U[1][3] / _atom_site_anisotrop.U[2][2] / _atom_site_anisotrop.U[2][3] / _atom_site_anisotrop.U[3][3] / _citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year
Revision 2.1Jan 31, 2024Group: Data collection / Refinement description
Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: GTP cyclohydrolase 1
B: GTP cyclohydrolase 1
C: GTP cyclohydrolase 1
D: GTP cyclohydrolase 1
E: GTP cyclohydrolase 1
F: GTP cyclohydrolase 1
G: GTP cyclohydrolase 1
H: GTP cyclohydrolase 1
I: GTP cyclohydrolase 1
J: GTP cyclohydrolase 1
K: GTP cyclohydrolase 1
L: GTP cyclohydrolase 1
M: GTP cyclohydrolase 1
N: GTP cyclohydrolase 1
O: GTP cyclohydrolase 1
P: GTP cyclohydrolase 1
Q: GTP cyclohydrolase 1
R: GTP cyclohydrolase 1
S: GTP cyclohydrolase 1
T: GTP cyclohydrolase 1
a: GTP cyclohydrolase 1 feedback regulatory protein
b: GTP cyclohydrolase 1 feedback regulatory protein
c: GTP cyclohydrolase 1 feedback regulatory protein
d: GTP cyclohydrolase 1 feedback regulatory protein
e: GTP cyclohydrolase 1 feedback regulatory protein
f: GTP cyclohydrolase 1 feedback regulatory protein
g: GTP cyclohydrolase 1 feedback regulatory protein
h: GTP cyclohydrolase 1 feedback regulatory protein
i: GTP cyclohydrolase 1 feedback regulatory protein
j: GTP cyclohydrolase 1 feedback regulatory protein
k: GTP cyclohydrolase 1 feedback regulatory protein
l: GTP cyclohydrolase 1 feedback regulatory protein
m: GTP cyclohydrolase 1 feedback regulatory protein
n: GTP cyclohydrolase 1 feedback regulatory protein
o: GTP cyclohydrolase 1 feedback regulatory protein
p: GTP cyclohydrolase 1 feedback regulatory protein
q: GTP cyclohydrolase 1 feedback regulatory protein
r: GTP cyclohydrolase 1 feedback regulatory protein
s: GTP cyclohydrolase 1 feedback regulatory protein
t: GTP cyclohydrolase 1 feedback regulatory protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)686,648120
Polymers669,32940
Non-polymers17,31980
Water38,1022115
1
A: GTP cyclohydrolase 1
B: GTP cyclohydrolase 1
C: GTP cyclohydrolase 1
D: GTP cyclohydrolase 1
E: GTP cyclohydrolase 1
F: GTP cyclohydrolase 1
G: GTP cyclohydrolase 1
H: GTP cyclohydrolase 1
I: GTP cyclohydrolase 1
J: GTP cyclohydrolase 1
a: GTP cyclohydrolase 1 feedback regulatory protein
b: GTP cyclohydrolase 1 feedback regulatory protein
c: GTP cyclohydrolase 1 feedback regulatory protein
d: GTP cyclohydrolase 1 feedback regulatory protein
e: GTP cyclohydrolase 1 feedback regulatory protein
f: GTP cyclohydrolase 1 feedback regulatory protein
g: GTP cyclohydrolase 1 feedback regulatory protein
h: GTP cyclohydrolase 1 feedback regulatory protein
i: GTP cyclohydrolase 1 feedback regulatory protein
j: GTP cyclohydrolase 1 feedback regulatory protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)343,32460
Polymers334,66520
Non-polymers8,65940
Water36020
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
2
K: GTP cyclohydrolase 1
L: GTP cyclohydrolase 1
M: GTP cyclohydrolase 1
N: GTP cyclohydrolase 1
O: GTP cyclohydrolase 1
P: GTP cyclohydrolase 1
Q: GTP cyclohydrolase 1
R: GTP cyclohydrolase 1
S: GTP cyclohydrolase 1
T: GTP cyclohydrolase 1
k: GTP cyclohydrolase 1 feedback regulatory protein
l: GTP cyclohydrolase 1 feedback regulatory protein
m: GTP cyclohydrolase 1 feedback regulatory protein
n: GTP cyclohydrolase 1 feedback regulatory protein
o: GTP cyclohydrolase 1 feedback regulatory protein
p: GTP cyclohydrolase 1 feedback regulatory protein
q: GTP cyclohydrolase 1 feedback regulatory protein
r: GTP cyclohydrolase 1 feedback regulatory protein
s: GTP cyclohydrolase 1 feedback regulatory protein
t: GTP cyclohydrolase 1 feedback regulatory protein
hetero molecules


Theoretical massNumber of molelcules
Total (without water)343,32460
Polymers334,66520
Non-polymers8,65940
Water36020
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Unit cell
Length a, b, c (Å)106.104, 185.418, 184.231
Angle α, β, γ (deg.)90.000, 97.940, 90.000
Int Tables number4
Space group name H-MP1211

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Components

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GTP cyclohydrolase ... , 2 types, 40 molecules ABCDEFGHIJKLMNOPQRSTabcdefghij...

#1: Protein
GTP cyclohydrolase 1 / GTP cyclohydrolase I / GTP cyclohydrolase I / GTP-CH-I


Mass: 23473.984 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: GCH1, DYT5, GCH / Production host: Escherichia coli (E. coli) / References: UniProt: P30793, GTP cyclohydrolase I
#2: Protein
GTP cyclohydrolase 1 feedback regulatory protein / GFRP / GTP cyclohydrolase I feedback regulatory protein / p35


Mass: 9992.483 Da / Num. of mol.: 20
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: GCHFR, GFRP / Production host: Escherichia coli (E. coli) / References: UniProt: P30047

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Non-polymers , 5 types, 2195 molecules

#3: Chemical
ChemComp-ZN / ZINC ION


Mass: 65.409 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: Zn / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical
ChemComp-QBQ / 7-deaza-GTP / [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-4-oxidanylidene-3~{H}-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate


Mass: 522.192 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: C11H17N4O14P3 / Feature type: SUBJECT OF INVESTIGATION
#5: Chemical
ChemComp-HBI / 7,8-DIHYDROBIOPTERIN / Dihydrobiopterin


Mass: 239.231 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: C9H13N5O3 / Feature type: SUBJECT OF INVESTIGATION
#6: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: K / Feature type: SUBJECT OF INVESTIGATION
#7: Water ChemComp-HOH / water / Water


Mass: 18.015 Da / Num. of mol.: 2115 / Source method: isolated from a natural source / Formula: H2O

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Details

Has ligand of interestY

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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: 2.68 Å3/Da / Density % sol: 54.13 %
Crystal growTemperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 0.2 M Sodium malonate pH 7.0; 20% w/v PEG3350 (Index H03)

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Data collection

DiffractionMean temperature: 100 K / Serial crystal experiment: N
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 0.99988 Å
DetectorType: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Mar 21, 2019
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.99988 Å / Relative weight: 1
ReflectionResolution: 2.205→182.47 Å / Num. obs: 223947 / % possible obs: 93.9 % / Redundancy: 3.5 % / Biso Wilson estimate: 43.26 Å2 / Rmerge(I) obs: 0.113 / Rsym value: 0.113 / Net I/σ(I): 9.3
Reflection shellResolution: 2.205→2.464 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.902 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 11196 / Rsym value: 0.902 / % possible all: 69

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Processing

Software
NameVersionClassification
BUSTER2.11.7 (18-SEP-2020)refinement
PDB_EXTRACT3.25data extraction
XDSdata reduction
Aimlessdata scaling
PHASERphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: 1WPL

1wpl


Resolution: 2.205→182.47 Å / Cor.coef. Fo:Fc: 0.947 / Cor.coef. Fo:Fc free: 0.918 / SU R Cruickshank DPI: 0.537 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.513 / SU Rfree Blow DPI: 0.256 / SU Rfree Cruickshank DPI: 0.26
Details: HYDROGENS WERE FULLY REFINED WITH ZERO OCCUPANCY AT NUCLEAR POSITION. REFINEMENT NOTES. NUMBER OF REFINEMENT NOTES : 1 NOTE 1 : IDEAL-DIST CONTACT TERM CONTACT SETUP. ALL ATOMS HAVE CCP4 ATOM TYPE FROM LIBRARY
RfactorNum. reflection% reflectionSelection details
Rfree0.2219 11261 5.03 %RANDOM
Rwork0.1773 ---
obs0.1795 223947 63.3 %-
Displacement parametersBiso max: 110.59 Å2 / Biso mean: 45.83 Å2 / Biso min: 14.73 Å2
Baniso -1Baniso -2Baniso -3
1-3.5233 Å20 Å20.9845 Å2
2---2.1514 Å20 Å2
3----1.3719 Å2
Refine analyzeLuzzati coordinate error obs: 0.29 Å
Refinement stepCycle: final / Resolution: 2.205→182.47 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms43851 0 1020 2115 46986
Biso mean--50.6 42.67 -
Num. residues----5519
Refine LS restraints
Refine-IDTypeNumberRestraint functionWeightDev ideal
X-RAY DIFFRACTIONt_dihedral_angle_d16776SINUSOIDAL2
X-RAY DIFFRACTIONt_trig_c_planes
X-RAY DIFFRACTIONt_gen_planes7978HARMONIC5
X-RAY DIFFRACTIONt_it45671HARMONIC10
X-RAY DIFFRACTIONt_nbd
X-RAY DIFFRACTIONt_improper_torsion
X-RAY DIFFRACTIONt_pseud_angle
X-RAY DIFFRACTIONt_chiral_improper_torsion5879SEMIHARMONIC5
X-RAY DIFFRACTIONt_sum_occupancies
X-RAY DIFFRACTIONt_utility_distance
X-RAY DIFFRACTIONt_utility_angle
X-RAY DIFFRACTIONt_utility_torsion
X-RAY DIFFRACTIONt_ideal_dist_contact37537SEMIHARMONIC4
X-RAY DIFFRACTIONt_bond_d46271HARMONIC20.009
X-RAY DIFFRACTIONt_angle_deg63008HARMONIC21.09
X-RAY DIFFRACTIONt_omega_torsion3.48
X-RAY DIFFRACTIONt_other_torsion18.33
LS refinement shellResolution: 2.21→2.37 Å / Rfactor Rfree error: 0 / Total num. of bins used: 51
RfactorNum. reflection% reflection
Rfree0.259 197 4.4 %
Rwork0.2324 4282 -
all0.2336 4479 -
obs--6.39 %
Refinement TLS params.

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

IDL11 (°2)L12 (°2)L13 (°2)L22 (°2)L23 (°2)L33 (°2)S11 (Å °)S12 (Å °)S13 (Å °)S21 (Å °)S22 (Å °)S23 (Å °)S31 (Å °)S32 (Å °)S33 (Å °)T11 (Å2)T12 (Å2)T13 (Å2)T22 (Å2)T23 (Å2)T33 (Å2)Origin x (Å)Origin y (Å)Origin z (Å)
10.6071-0.59890.59271.9766-0.86461.0313-0.0368-0.05880.08170.35360.0326-0.0451-0.1673-0.03780.00420.0816-0.01820.0125-0.0855-0.0188-0.049645.0402-38.92524.2666
20.680.33770.75760.78260.1883.2219-0.11820.160.05790.07230.0234-0.1991-0.33360.18780.0949-0.0817-0.02630.0653-0.03010.01080.01661.6699-49.1288-1.0317
30.53970.70560.50781.90270.84330.9148-0.01210.1509-0.0273-0.15640.0657-0.2161-0.03460.1611-0.0536-0.02880.04040.0446-0.0481-0.06610.039960.5459-81.2344-1.2173
43.6480.58930.06091.3719-0.2620.1916-0.01420.0226-0.53210.15040.0529-0.17850.09930.0566-0.03870.0853-0.0159-0.0139-0.16030.0097-0.018843.1041-90.654623.7788
51.9035-0.8932-0.11551.06140.14990.0857-0.0055-0.1619-0.15680.377-0.03680.01760.0634-0.04130.04230.1832-0.03010.0351-0.0361-0.0147-0.139333.5529-64.554439.5346
60.402-0.09920.49320.75810.112.8583-0.07570.00870.11410.0472-0.02020.1156-0.3629-0.08660.09590.02160.02260.0769-0.0522-0.0556-0.049218.9019-46.528821.8268
71.5624-0.9030.56071.5338-0.93971.0781-0.0856-0.1668-0.25080.2160.0910.3364-0.0865-0.2229-0.00540.0141-0.04930.0887-0.05870.00010.008116.6516-78.397523.1892
82.2059-1.4986-0.30331.54660.31830.161-0.00510.0316-0.3051-0.0043-0.02980.2110.0841-0.08030.03490.0271-0.01220.0056-0.0865-0.08430.007232.7926-90.4323-1.4209
93.16341.1071-0.27851.0032-0.140.3812-0.07660.5079-0.3358-0.20870.0809-0.08040.07810.0291-0.00430.01130.01350.05950.0709-0.0821-0.102445.1752-65.9615-18.1702
100.93290.76710.61221.66280.63910.7933-0.08520.20180.044-0.21720.0576-0.0501-0.16020.02530.02760.03530.00120.0358-0.03880.0452-0.056136.536-38.9029-3.6234
110.7659-0.78710.73281.6073-0.81731.1253-0.0624-0.17050.08660.10760.09710.0371-0.1054-0.051-0.03470.0540.01650.0307-0.0881-0.0874-0.02293.550119.512896.3155
120.49690.11480.70140.6096-0.13643.8717-0.12860.09010.23630.07980.0180.0305-0.46620.19930.11060.0069-0.0350.0314-0.03450.0407-0.014722.656413.224271.4381
130.52690.37680.41441.16990.9360.97910.01760.1008-0.0156-0.13020.0475-0.1576-0.01250.234-0.06510.04990.07830.05750.0187-0.0481-0.07925.3334-18.428368.9566
142.09161.1598-0.0891.3955-0.16260.11040.02350.0143-0.2787-0.00570.0664-0.18690.1310.0845-0.08990.08960.02570.0035-0.067-0.011-0.07088.053-31.782992.2706
153.0338-0.96940.18540.6814-0.05890.3146-0.136-0.3667-0.23270.16090.10080.05060.0137-0.06970.03520.0680.01080.06430.0168-0.0339-0.1195-5.4567-8.4069109.1855
160.6801-0.29410.41380.63920.01433.2919-0.1643-0.1440.2271-0.02560.07480.1144-0.4463-0.20180.0895-0.02620.07890.0388-0.0614-0.06890.0516-21.40059.015591.9627
170.7357-0.51840.64361.77-1.10741.28650.0169-0.1398-0.03620.16550.08390.2526-0.0367-0.2294-0.10090.0063-0.02870.0519-0.04410.0263-0.0119-19.7353-22.748791.0009
182.0673-0.91130.01091.0496-0.02030.32490.0436-0.0127-0.2858-0.10220.01930.22580.13930.0178-0.06290.12420.04170.0061-0.0931-0.0398-0.0893-0.9752-30.961866.4846
192.82021.39610.16211.12010.06320.5765-0.10950.3409-0.1519-0.19760.0952-0.04170.01350.11660.01430.11180.01140.0261-0.01580.0124-0.15219.1388-4.221752.3187
200.62170.64490.72321.90621.13771.7411-0.09020.13760.1384-0.24460.15560.0561-0.17640.0891-0.06540.06540.0030.0093-0.1350.0203-0.0064-3.58520.61367.9937
213.5238-1.43260.48072.4318-0.1270.67140.0559-0.15460.38430.29150.0467-0.7169-0.1648-0.0841-0.1027-0.0479-0.1365-0.2669-0.24290.03350.15778.5175-49.037540.1826
222.6484-1.36021.40841.45910.07241.8632-0.00170.10680.23210.1288-0.0258-0.7855-0.01620.20040.0275-0.2752-0.052-0.1749-0.17710.04420.347188.3918-58.437525.0037
231.11890.64121.17492.06130.95093.8874-0.00790.1246-0.29010.2524-0.0958-0.85490.20260.24360.1037-0.2030.0519-0.3157-0.32210.08230.394685.8543-78.688127.4156
242.93381.46611.73163.1903-0.91131.81060.20240.0052-0.58080.6531-0.3495-0.7380.06080.07620.14710.0057-0.0752-0.3329-0.31060.22660.124574.4794-81.595344.1719
254.21610.24521.2482.03370.16761.35880.1496-0.3559-0.05780.6524-0.2043-0.4235-0.0585-0.13270.05470.1567-0.1561-0.2765-0.19840.0771-0.121369.8709-63.344352.0312
262.92761.18030.74491.14840.81613.3539-0.0703-0.10060.2277-0.0765-0.13040.3617-0.1876-0.50890.2007-0.20870.073-0.01170.0821-0.045-0.0104-8.5031-53.3832-4.1293
272.2141-0.30671.31452.1431-1.07722.74230.1105-0.0198-0.2989-0.11860.06510.26850.1629-0.3943-0.1756-0.204-0.0864-0.0278-0.0063-0.00710.0499-8.3796-73.7887-5.6488
283.0317-0.93231.59831.7951-0.47312.44950.16440.3176-0.3701-0.41140.04810.27040.3482-0.1411-0.2125-0.0675-0.0224-0.13510.0109-0.1731-0.07412.6509-78.8752-22.2004
294.508-0.2721-0.03921.3527-0.0780.60950.07540.7694-0.1453-0.34850.07480.2471-0.0538-0.0893-0.1502-0.03380.0081-0.07650.1952-0.0168-0.24499.3161-61.4878-30.9596
303.90630.1264-0.09141.88271.28151.1077-0.17140.5240.3739-0.1518-0.01160.231-0.2468-0.21710.1829-0.07510.0673-0.12970.02720.0945-0.07222.2906-45.7752-19.8673
311.6978-0.58590.47981.7473-0.55691.6845-0.12560.00420.25570.12240.0243-0.183-0.28320.23720.1013-0.0115-0.0521-0.0406-0.0522-0.1045-0.065237.397912.2543113.366
324.9729-0.91940.82061.2815-0.24822.1487-0.12360.32230.2887-0.0093-0.0409-0.2274-0.0680.56720.1645-0.1696-0.04020.02670.07440.0102-0.070949.00535.478298.0165
331.6708-0.36681.9252.4676-0.09184.5590.04940.2583-0.18510.0594-0.0486-0.29220.16380.6666-0.0008-0.14210.1263-0.00430.063-0.0772-0.066148.9919-15.226198.7607
342.30481.12061.4491.51870.16593.21330.2129-0.0498-0.26680.38990.0556-0.14550.33340.2551-0.26860.02920.0792-0.0844-0.0682-0.0217-0.101537.4163-20.8943114.6499
352.44680.13780.29690.99040.38261.1640.1014-0.1446-0.05890.18310.1093-0.12560.0687-0.0043-0.21070.05430.0052-0.02090.0045-0.0883-0.172130.3529-4.0167123.6114
362.09550.70610.58421.57160.31132.711-0.0352-0.03390.2392-0.15180.08670.4206-0.1991-0.476-0.0515-0.24840.1033-0.0583-0.03290.01880.1887-46.52220.978664.1641
370.41540.20580.73592.9345-1.22834.0297-0.0819-0.1677-0.0627-0.26820.07380.62310.1705-0.52570.0081-0.1772-0.1023-0.1117-0.07440.01660.1467-43.9236-19.145561.3232
382.47220.13771.36010.93390.69882.7717-0.0370.1449-0.0173-0.43590.16430.27870.2941-0.1312-0.12720.0827-0.0982-0.1637-0.1577-0.0115-0.0549-31.6908-21.69445.1977
393.26020.76960.89562.4852-0.60481.9948-0.10490.26810.322-0.57080.16450.43050.00110.1087-0.05960.0497-0.0835-0.2585-0.17140.1669-0.0558-26.7589-3.249437.9989
402.55821.70540.39912.72391.21351.5277-0.12710.19220.6186-0.3101-0.0490.6718-0.2867-0.11870.1761-0.07310.101-0.2656-0.23720.10960.1955-35.950710.809849.7296
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection detailsAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1{ A|* }A58 - 249
2X-RAY DIFFRACTION2{ B|* }B58 - 249
3X-RAY DIFFRACTION3{ C|* }C58 - 249
4X-RAY DIFFRACTION4{ D|* }D58 - 249
5X-RAY DIFFRACTION5{ E|* }E58 - 249
6X-RAY DIFFRACTION6{ F|* }F58 - 249
7X-RAY DIFFRACTION7{ G|* }G58 - 249
8X-RAY DIFFRACTION8{ H|* }H58 - 249
9X-RAY DIFFRACTION9{ I|* }I58 - 249
10X-RAY DIFFRACTION10{ J|* }J58 - 249
11X-RAY DIFFRACTION11{ K|* }K58 - 249
12X-RAY DIFFRACTION12{ L|* }L58 - 249
13X-RAY DIFFRACTION13{ M|* }M58 - 249
14X-RAY DIFFRACTION14{ N|* }N58 - 249
15X-RAY DIFFRACTION15{ O|* }O58 - 249
16X-RAY DIFFRACTION16{ P|* }P58 - 249
17X-RAY DIFFRACTION17{ Q|* }Q58 - 249
18X-RAY DIFFRACTION18{ R|* }R58 - 249
19X-RAY DIFFRACTION19{ S|* }S58 - 249
20X-RAY DIFFRACTION20{ T|* }T58 - 249
21X-RAY DIFFRACTION21{ a|* }a1 - 84
22X-RAY DIFFRACTION22{ b|* }b1 - 84
23X-RAY DIFFRACTION23{ c|* }c1 - 84
24X-RAY DIFFRACTION24{ d|* }d1 - 84
25X-RAY DIFFRACTION25{ e|* }e1 - 84
26X-RAY DIFFRACTION26{ f|* }f1 - 83
27X-RAY DIFFRACTION27{ g|* }g1 - 84
28X-RAY DIFFRACTION28{ h|* }h1 - 84
29X-RAY DIFFRACTION29{ i|* }i1 - 84
30X-RAY DIFFRACTION30{ j|* }j1 - 84
31X-RAY DIFFRACTION31{ k|* }k1 - 84
32X-RAY DIFFRACTION32{ l|* }l1 - 84
33X-RAY DIFFRACTION33{ m|* }m1 - 84
34X-RAY DIFFRACTION34{ n|* }n1 - 84
35X-RAY DIFFRACTION35{ o|* }o1 - 84
36X-RAY DIFFRACTION36{ p|* }p1 - 84
37X-RAY DIFFRACTION37{ q|* }q1 - 84
38X-RAY DIFFRACTION38{ r|* }r1 - 84
39X-RAY DIFFRACTION39{ s|* }s1 - 84
40X-RAY DIFFRACTION40{ t|* }t1 - 84

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