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- PDB-3olu: X-ray crystal structure of 1-arachidonoyl glycerol bound to the c... -

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Basic information

Entry
Database: PDB / ID: 3olu
TitleX-ray crystal structure of 1-arachidonoyl glycerol bound to the cyclooxygenase channel of R513H murine COX-2
ComponentsProstaglandin G/H synthase 2
KeywordsOXIDOREDUCTASE / Monotopic Membrane Protein / N-glycosylation / Membrane
Function / homology
Function and homology information


Biosynthesis of DHA-derived SPMs / Biosynthesis of EPA-derived SPMs / Biosynthesis of DPAn-3 SPMs / Biosynthesis of electrophilic ω-3 PUFA oxo-derivatives / Synthesis of 15-eicosatetraenoic acid derivatives / cellular response to non-ionic osmotic stress / positive regulation of platelet-derived growth factor production / hair cycle / cellular response to homocysteine / Nicotinamide salvage ...Biosynthesis of DHA-derived SPMs / Biosynthesis of EPA-derived SPMs / Biosynthesis of DPAn-3 SPMs / Biosynthesis of electrophilic ω-3 PUFA oxo-derivatives / Synthesis of 15-eicosatetraenoic acid derivatives / cellular response to non-ionic osmotic stress / positive regulation of platelet-derived growth factor production / hair cycle / cellular response to homocysteine / Nicotinamide salvage / Synthesis of Prostaglandins (PG) and Thromboxanes (TX) / positive regulation of fibroblast growth factor production / prostaglandin-endoperoxide synthase / prostaglandin-endoperoxide synthase activity / cyclooxygenase pathway / positive regulation of transforming growth factor beta production / cellular response to lead ion / negative regulation of synaptic transmission, dopaminergic / negative regulation of intrinsic apoptotic signaling pathway in response to osmotic stress / positive regulation of prostaglandin biosynthetic process / regulation of neuroinflammatory response / positive regulation of synaptic plasticity / response to fatty acid / response to fructose / positive regulation of smooth muscle contraction / oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen / positive regulation of fever generation / response to vitamin D / prostaglandin secretion / cellular response to fluid shear stress / response to selenium ion / response to nematode / nuclear outer membrane / response to angiotensin / nuclear inner membrane / response to manganese ion / prostaglandin biosynthetic process / negative regulation of smooth muscle contraction / positive regulation of cell migration involved in sprouting angiogenesis / cellular response to ATP / maintenance of blood-brain barrier / bone mineralization / negative regulation of calcium ion transport / negative regulation of cell cycle / decidualization / response to tumor necrosis factor / positive regulation of vascular endothelial growth factor production / brown fat cell differentiation / response to glucocorticoid / keratinocyte differentiation / positive regulation of vasoconstriction / positive regulation of brown fat cell differentiation / embryo implantation / positive regulation of synaptic transmission, glutamatergic / learning / positive regulation of smooth muscle cell proliferation / peroxidase activity / caveola / regulation of blood pressure / memory / positive regulation of protein import into nucleus / cellular response to mechanical stimulus / positive regulation of nitric oxide biosynthetic process / response to estradiol / regulation of cell population proliferation / cellular response to heat / cellular response to lipopolysaccharide / angiogenesis / cellular response to hypoxia / response to oxidative stress / neuron projection / positive regulation of apoptotic process / response to xenobiotic stimulus / negative regulation of cell population proliferation / heme binding / endoplasmic reticulum membrane / negative regulation of apoptotic process / enzyme binding / protein homodimerization activity / protein-containing complex / metal ion binding / cytosol / cytoplasm
Similarity search - Function
: / Myeloperoxidase, subunit C / Haem peroxidase domain superfamily, animal type / Haem peroxidase, animal-type / Haem peroxidase domain superfamily, animal type / Animal haem peroxidase / Animal heme peroxidase superfamily profile. / Laminin / Laminin / EGF-like domain ...: / Myeloperoxidase, subunit C / Haem peroxidase domain superfamily, animal type / Haem peroxidase, animal-type / Haem peroxidase domain superfamily, animal type / Animal haem peroxidase / Animal heme peroxidase superfamily profile. / Laminin / Laminin / EGF-like domain / Haem peroxidase superfamily / EGF-like domain profile. / EGF-like domain / Ribbon / Orthogonal Bundle / Mainly Beta / Mainly Alpha
Similarity search - Domain/homology
Chem-1AG / PROTOPORPHYRIN IX CONTAINING CO / Prostaglandin G/H synthase 2
Similarity search - Component
Biological speciesMus musculus (house mouse)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.35 Å
AuthorsVecchio, A.J. / Malkowski, M.G.
CitationJournal: J.Biol.Chem. / Year: 2011
Title: The structural basis of endocannabinoid oxygenation by cyclooxygenase-2.
Authors: Vecchio, A.J. / Malkowski, M.G.
History
DepositionAug 26, 2010Deposition site: RCSB / Processing site: RCSB
Revision 1.0Apr 13, 2011Provider: repository / Type: Initial release
Revision 1.1Jul 13, 2011Group: Version format compliance
Revision 1.2Nov 8, 2017Group: Refinement description / Category: software / Item: _software.classification / _software.name
Revision 2.0Jul 29, 2020Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Database references / Derived calculations / Structure summary
Category: atom_site / chem_comp ...atom_site / chem_comp / database_PDB_caveat / entity / pdbx_branch_scheme / pdbx_chem_comp_identifier / pdbx_entity_branch / pdbx_entity_branch_descriptor / pdbx_entity_branch_link / pdbx_entity_branch_list / pdbx_entity_nonpoly / pdbx_nonpoly_scheme / pdbx_struct_assembly_gen / pdbx_struct_conn_angle / pdbx_validate_chiral / struct_asym / struct_conn / struct_ref_seq_dif / struct_site / struct_site_gen
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.auth_asym_id / _atom_site.auth_atom_id / _atom_site.auth_comp_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _atom_site.label_atom_id / _atom_site.label_comp_id / _atom_site.label_entity_id / _atom_site.type_symbol / _chem_comp.mon_nstd_flag / _chem_comp.name / _chem_comp.type / _pdbx_struct_assembly_gen.asym_id_list / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_alt_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.value / _pdbx_validate_chiral.auth_asym_id / _pdbx_validate_chiral.auth_seq_id / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _struct_conn.pdbx_ptnr1_label_alt_id / _struct_conn.pdbx_role / _struct_conn.ptnr1_auth_asym_id / _struct_conn.ptnr1_auth_comp_id / _struct_conn.ptnr1_auth_seq_id / _struct_conn.ptnr1_label_asym_id / _struct_conn.ptnr1_label_atom_id / _struct_conn.ptnr1_label_comp_id / _struct_conn.ptnr1_label_seq_id / _struct_conn.ptnr2_auth_asym_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_ref_seq_dif.details
Description: Carbohydrate remediation / Provider: repository / Type: Remediation
Revision 2.1Sep 6, 2023Group: Data collection / Database references ...Data collection / Database references / Refinement description / Structure summary
Category: chem_comp / chem_comp_atom ...chem_comp / chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model
Item: _chem_comp.pdbx_synonyms / _database_2.pdbx_DOI / _database_2.pdbx_database_accession
Revision 3.0Dec 25, 2024Group: Advisory / Atomic model ...Advisory / Atomic model / Data collection / Derived calculations / Structure summary
Category: atom_site / chem_comp_atom ...atom_site / chem_comp_atom / chem_comp_bond / pdbx_distant_solvent_atoms / pdbx_entry_details / pdbx_modification_feature / pdbx_nonpoly_scheme / pdbx_struct_conn_angle / pdbx_validate_chiral / pdbx_validate_close_contact / struct_conn
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.auth_asym_id / _atom_site.auth_seq_id / _atom_site.label_asym_id / _chem_comp_atom.pdbx_aromatic_flag / _chem_comp_atom.pdbx_stereo_config / _chem_comp_bond.pdbx_aromatic_flag / _pdbx_nonpoly_scheme.asym_id / _pdbx_nonpoly_scheme.auth_seq_num / _pdbx_nonpoly_scheme.ndb_seq_num / _pdbx_nonpoly_scheme.pdb_seq_num / _pdbx_nonpoly_scheme.pdb_strand_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Prostaglandin G/H synthase 2
B: Prostaglandin G/H synthase 2
hetero molecules


Theoretical massNumber of molelcules
Total (without water)141,67927
Polymers136,0572
Non-polymers5,62225
Water11,998666
1


  • Idetical with deposited unit
  • defined by author&software
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area14160 Å2
ΔGint29 kcal/mol
Surface area41710 Å2
MethodPISA
Unit cell
Length a, b, c (Å)121.312, 131.754, 180.022
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number23
Space group name H-MI222

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Components

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Protein , 1 types, 2 molecules AB

#1: Protein Prostaglandin G/H synthase 2 / Cyclooxygenase-2 / COX-2 / Prostaglandin-endoperoxide synthase 2 / Prostaglandin H2 synthase 2 / ...Cyclooxygenase-2 / COX-2 / Prostaglandin-endoperoxide synthase 2 / Prostaglandin H2 synthase 2 / PGH synthase 2 / PGHS-2 / PHS II / Glucocorticoid-regulated inflammatory cyclooxygenase / Gripghs / TIS10 protein / Macrophage activation-associated marker protein P71/73 / PES-2


Mass: 68028.438 Da / Num. of mol.: 2 / Mutation: R513H
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Mus musculus (house mouse) / Gene: Ptgs2, Cox-2, Cox2, Pghs-b, Tis10 / Plasmid: pFastbac1 / Production host: Spodoptera frugiperda (fall armyworm) / Strain (production host): SF21
References: UniProt: Q05769, prostaglandin-endoperoxide synthase

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Sugars , 4 types, 7 molecules

#2: Polysaccharide 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 424.401 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/1,2,1/[a2122h-1b_1-5_2*NCC/3=O]/1-1/a4-b1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-L-IdopNAc]{[(4+1)][b-D-GlcpNAc]{}}}LINUCSPDB-CARE
#3: Polysaccharide alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta- ...alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose


Type: oligosaccharide / Mass: 586.542 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
DescriptorTypeProgram
DManpa1-4DGlcpNAcb1-4DGlcpNAcb1-Glycam Condensed SequenceGMML 1.0
WURCS=2.0/2,3,2/[a2122h-1b_1-5_2*NCC/3=O][a1122h-1a_1-5]/1-1-2/a4-b1_b4-c1WURCSPDB2Glycan 1.1.0
[]{[(4+1)][b-D-GlcpNAc]{[(4+1)][b-D-GlcpNAc]{[(4+1)][a-D-Manp]{}}}}LINUCSPDB-CARE
#7: Sugar ChemComp-NAG / 2-acetamido-2-deoxy-beta-D-glucopyranose / N-acetyl-beta-D-glucosamine / 2-acetamido-2-deoxy-beta-D-glucose / 2-acetamido-2-deoxy-D-glucose / 2-acetamido-2-deoxy-glucose / N-ACETYL-D-GLUCOSAMINE


Type: D-saccharide, beta linking / Mass: 221.208 Da / Num. of mol.: 2
Source method: isolated from a genetically manipulated source
Formula: C8H15NO6
IdentifierTypeProgram
DGlcpNAcbCONDENSED IUPAC CARBOHYDRATE SYMBOLGMML 1.0
N-acetyl-b-D-glucopyranosamineCOMMON NAMEGMML 1.0
b-D-GlcpNAcIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0
GlcNAcSNFG CARBOHYDRATE SYMBOLGMML 1.0
#8: Sugar ChemComp-BOG / octyl beta-D-glucopyranoside / Beta-Octylglucoside / octyl beta-D-glucoside / octyl D-glucoside / octyl glucoside


Type: D-saccharide / Mass: 292.369 Da / Num. of mol.: 1
Source method: isolated from a genetically manipulated source
Formula: C14H28O6 / Comment: detergent*YM
IdentifierTypeProgram
b-octylglucosideIUPAC CARBOHYDRATE SYMBOLPDB-CARE 1.0

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Non-polymers , 4 types, 684 molecules

#4: Chemical
ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL


Mass: 62.068 Da / Num. of mol.: 14 / Source method: obtained synthetically / Formula: C2H6O2
#5: Chemical ChemComp-1AG / (2S)-2,3-dihydroxypropyl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate


Mass: 378.545 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C23H38O4
#6: Chemical ChemComp-COH / PROTOPORPHYRIN IX CONTAINING CO


Mass: 619.575 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C34H32CoN4O4
#9: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 666 / 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: 2.64 Å3/Da / Density % sol: 53.47 %
Crystal growTemperature: 296 K / Method: vapor diffusion, sitting drop / pH: 7.5
Details: 23-34% polyacrylic acid 5100, 100mM HEPES pH 7.5, 20mM MgCl2, VAPOR DIFFUSION, SITTING DROP, temperature 296K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: CHESS / Beamline: A1 / Wavelength: 0.978 Å
DetectorType: ADSC QUANTUM 210 / Detector: CCD / Date: Apr 30, 2009
RadiationMonochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.978 Å / Relative weight: 1
ReflectionResolution: 2.35→20 Å / Num. obs: 59835 / % possible obs: 99.6 % / Observed criterion σ(F): -6 / Observed criterion σ(I): -3 / Redundancy: 4.9 % / Biso Wilson estimate: 33.2 Å2 / Rmerge(I) obs: 0.124 / Net I/σ(I): 10.4
Reflection shellResolution: 2.35→2.48 Å / Redundancy: 5 % / Rmerge(I) obs: 0.576 / Mean I/σ(I) obs: 2.7 / Num. unique all: 8694 / % possible all: 100

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Processing

Software
NameVersionClassification
Adxvdata processing
PHASERphasing
REFMAC5.5.0088refinement
MOSFLMdata reduction
SCALAdata scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB entry 1CVU

1cvu


Resolution: 2.35→19.99 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.926 / SU B: 12.588 / SU ML: 0.139 / Cross valid method: THROUGHOUT / σ(F): -6 / ESU R Free: 0.214 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
RfactorNum. reflection% reflectionSelection details
Rfree0.2136 3024 5.1 %RANDOM
Rwork0.16157 ---
obs0.16417 56810 99.54 %-
all-59835 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parametersBiso mean: 22.128 Å2
Baniso -1Baniso -2Baniso -3
1-0.59 Å20 Å20 Å2
2--0.31 Å20 Å2
3----0.9 Å2
Refine analyzeLuzzati sigma a obs: 0.293 Å
Refinement stepCycle: LAST / Resolution: 2.35→19.99 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms8864 0 378 666 9908
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0130.0229577
X-RAY DIFFRACTIONr_angle_refined_deg1.6862.00513010
X-RAY DIFFRACTIONr_dihedral_angle_1_deg5.59351116
X-RAY DIFFRACTIONr_dihedral_angle_2_deg36.57223.973443
X-RAY DIFFRACTIONr_dihedral_angle_3_deg15.022151500
X-RAY DIFFRACTIONr_dihedral_angle_4_deg14.2311544
X-RAY DIFFRACTIONr_chiral_restr0.0970.21384
X-RAY DIFFRACTIONr_gen_planes_refined0.0060.0217330
X-RAY DIFFRACTIONr_mcbond_it0.4841.55534
X-RAY DIFFRACTIONr_mcangle_it0.94728995
X-RAY DIFFRACTIONr_scbond_it1.92234043
X-RAY DIFFRACTIONr_scangle_it3.1544.54004
LS refinement shellResolution: 2.35→2.41 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.249 213 -
Rwork0.205 4092 -
obs-43041 99.93 %
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)
10.75091.23040.29584.72790.69761.9305-0.0338-0.20560.08180.01170.05740.3388-0.1328-0.2671-0.02360.08620.03570.04240.27770.04630.19111.361437.681160.0257
28.5129-1.50164.30888.8648-1.3944.06460.4999-0.6573-1.55430.21940.34810.23910.819-0.6551-0.8480.3094-0.11520.04460.46070.19210.5978-3.139218.582764.2743
34.4499-0.7632-2.48377.02820.05339.6039-0.31040.0661-0.22070.001-0.09140.63620.3721-0.43290.40180.1395-0.07610.01740.2519-0.00010.397913.50233.03866.2726
42.5296-0.69031.05714.0309-1.01244.4712-0.0856-0.0853-0.1437-0.00010.05460.18350.1472-0.16540.0310.01990.00870.00510.02570.00440.042118.372133.748553.8737
51.5428-0.9024-0.06651.1306-0.0231.2993-0.0566-0.21520.15740.14770.0875-0.0865-0.17150.005-0.03090.06590.0001-0.00750.0447-0.02230.062526.471529.867571.0404
63.24630.14031.09790.735-0.275.18890.00070.01470.2473-0.0579-0.006-0.1701-0.00930.30840.00530.0091-0.00080.03360.0354-0.00020.146950.618.93455.6582
75.90291.0328-0.94761.9913-2.75854.8805-0.0349-0.42220.72730.0828-0.1144-0.2686-0.23690.38770.14930.09510.00610.01030.1726-0.08750.284349.474125.871265.9961
81.0726-0.76340.13441.2402-0.29643.73710.0523-0.0332-0.2003-0.2426-0.1077-0.01890.25050.27460.05540.08790.04580.01630.04040.04030.104142.3829.325152.2909
90.8467-0.57180.15581.1479-0.47082.2561-0.0346-0.1533-0.1180.05950.07320.16440.216-0.1295-0.03860.04030.00080.0380.06610.04060.101825.173615.079165.3407
105.56462.07610.24775.6062.31913.1686-0.0246-0.46050.05870.40130.066-0.1657-0.0360.4118-0.04140.12550.0442-0.02590.22860.00360.096447.308116.226578.4138
110.9894-0.6586-0.38150.95830.3451.0838-0.0668-0.2483-0.06450.11730.09560.1097-0.0113-0.1357-0.02880.08020.01890.0280.12850.03620.070519.542724.899672.7338
122.1016-1.5448-0.8542.39490.1444.1812-0.0147-0.1321-0.26210.05110.11180.15680.5691-0.1922-0.09710.1518-0.04340.00130.02860.04240.140737.90243.32264.0081
134.5350.5646-1.42070.8695-0.51412.57860.16780.054-0.2489-0.2633-0.17160.0210.52330.19580.00380.40750.0604-0.04470.1384-0.03720.182733.76711.695433.1921
1410.6495-4.61372.3035.3282-3.56272.61760.2427-0.1198-0.4975-0.38530.45131.15760.317-0.5582-0.6940.6101-0.1258-0.11730.3955-0.08770.581515.1809-0.423928.2809
155.595-1.8336-1.51445.27281.6229.1195-0.11520.3482-0.6173-0.2314-0.24440.4550.3708-0.38340.35960.3041-0.1373-0.04020.2559-0.09490.40391.132618.531726.2892
163.202-1.97420.61982.9709-0.27354.99120.12860.0755-0.1094-0.1765-0.17370.07030.3126-0.15220.04510.07850.0217-0.00050.0253-0.00320.022131.840719.292238.9279
171.0999-0.9542-0.07691.33170.08321.77140.11590.17120.0567-0.1999-0.0758-0.12560.10470.2116-0.04010.08990.02740.01280.1040.02440.079329.99427.528521.843
182.3375-0.2741.03513.7454-0.50123.5589-0.03610.19960.32990.2852-0.0596-0.2143-0.39510.27990.09580.0674-0.02040.00740.03760.04820.114621.560151.450738.5446
195.04481.73651.10963.2059-0.42221.5565-0.10440.22370.3457-0.4530.0677-0.4496-0.36260.5490.03670.2884-0.21240.16350.2745-0.04270.28226.207650.086828.8326
200.9869-0.42520.05661.72950.39981.93750.05150.1229-0.0567-0.0938-0.04210.23410.0936-0.2025-0.00940.0134-0.0042-0.01070.05080.02410.080512.14134.033436.3893
211.40540.2779-1.07946.70620.61932.6850.2080.42340.3809-0.5078-0.0699-0.2502-0.27580.068-0.13810.17560.07120.04490.29790.13530.164819.570248.423314.6656
222.3548-0.85881.15871.4357-1.2761.27340.09870.18760.0762-0.1773-0.1354-0.03910.14510.21090.03670.20570.11090.01920.2171-0.00220.050529.759329.80313.6802
231.8198-0.67040.20422.2117-0.05863.0570.12550.2739-0.2188-0.3241-0.1260.13870.3377-0.05520.00050.2530.049-0.04030.1277-0.0420.091625.392516.537316.885
241.230.00230.09471.6681-1.17943.5260.07530.1345-0.048-0.05890.07960.22360.0874-0.3002-0.15480.01060.0025-0.00040.0550.02940.10356.673838.147835.8958
Refinement TLS group
IDRefine-IDRefine TLS-IDAuth asym-IDAuth seq-ID
1X-RAY DIFFRACTION1A33 - 68
2X-RAY DIFFRACTION2A69 - 87
3X-RAY DIFFRACTION3A88 - 122
4X-RAY DIFFRACTION4A123 - 148
5X-RAY DIFFRACTION5A149 - 233
6X-RAY DIFFRACTION6A234 - 268
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