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- PDB-5a8r: METHYL-COENZYME M REDUCTASE II FROM METHANOTHERMOBACTER MARBURGEN... -

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Basic information

Entry
Database: PDB / ID: 5a8r
TitleMETHYL-COENZYME M REDUCTASE II FROM METHANOTHERMOBACTER MARBURGENSIS AT 2.15 A RESOLUTION
Components
  • (METHYL-COENZYME M REDUCTASE II SUBUNIT ...) x 2
  • METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
KeywordsTRANSFERASE / POST-TRANSLATIONAL MODIFICATION / BINDING SITES / CATALYSIS / COENZYMES / DISULFIDES / HYDROGEN / HYDROGEN BONDING / LIGANDS / MESNA / METALLOPORPHYRINS / METHANE / METHANOBACTERIUM / MODELS / MOLECULAR / NICKEL / OXIDATION-REDUCTION / OXIDOREDUCTASES / PHOSPHOTHREONINE / PROTEIN CONFORMATION / PROTEIN FOLDING / PROTEIN STRUCTURE
Function / homology
Function and homology information


coenzyme-B sulfoethylthiotransferase / coenzyme-B sulfoethylthiotransferase activity / methanogenesis / metal ion binding
Similarity search - Function
Methyl-coenzyme M Reductase; Chain B, domain 2 / Methyl-coenzyme M reductase, alpha/beta subunit, C-terminal / Alpha-Beta Plaits - #470 / Methyl-coenzyme M reductase, gamma subunit / Methyl-coenzyme M Reductase; Chain A, domain 1 / Methyl-coenzyme M Reductase; Chain A, domain 1 / Methyl-coenzyme M reductase, alpha subunit, N-terminal subdomain 1 / Methyl-coenzyme M reductase, gamma subunit / Methyl-coenzyme M reductase, beta subunit / Methyl coenzyme M reductase, alpha subunit ...Methyl-coenzyme M Reductase; Chain B, domain 2 / Methyl-coenzyme M reductase, alpha/beta subunit, C-terminal / Alpha-Beta Plaits - #470 / Methyl-coenzyme M reductase, gamma subunit / Methyl-coenzyme M Reductase; Chain A, domain 1 / Methyl-coenzyme M Reductase; Chain A, domain 1 / Methyl-coenzyme M reductase, alpha subunit, N-terminal subdomain 1 / Methyl-coenzyme M reductase, gamma subunit / Methyl-coenzyme M reductase, beta subunit / Methyl coenzyme M reductase, alpha subunit / Methyl-coenzyme M reductase, beta subunit, C-terminal / Methyl-coenzyme M reductase, beta subunit, N-terminal / Methyl-coenzyme M reductase, gamma subunit superfamily / Methyl-coenzyme M reductase gamma subunit / Methyl-coenzyme M reductase beta subunit, C-terminal domain / Methyl-coenzyme M reductase beta subunit, N-terminal domain / Methyl-coenzyme M reductase, alpha subunit, N-terminal / Methyl-coenzyme M reductase, alpha/beta subunit, C-terminal / Methyl-coenzyme M reductase, ferredoxin-like fold / Methyl-coenzyme M reductase, alpha subunit, C-terminal / Methyl-coenzyme M reductase, alpha subunit, N-terminal subdomain 2 / Methyl-coenzyme M reductase alpha subunit, C-terminal domain / Methyl-coenzyme M reductase alpha subunit, N-terminal domain / Lambda Exonuclease; Chain A / Alpha-Beta Plaits / Alpha-Beta Complex / Up-down Bundle / 2-Layer Sandwich / Mainly Alpha / Alpha Beta
Similarity search - Domain/homology
1-THIOETHANESULFONIC ACID / FACTOR 430 / : / Coenzyme B / Methyl-coenzyme M reductase II subunit beta / Methyl-coenzyme M reductase II subunit alpha / Methyl-coenzyme M reductase II subunit gamma
Similarity search - Component
Biological speciesMETHANOTHERMOBACTER MARBURGENSIS (archaea)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.15 Å
AuthorsWagner, T. / Ermler, U.
CitationJournal: Angew.Chem.Int.Ed.Engl. / Year: 2016
Title: Didehydroaspartate Modification in Methyl-Coenzyme M Reductase Catalyzing Methane Formation.
Authors: Wagner, T. / Kahnt, J. / Ermler, U. / Shima, S.
History
DepositionJul 16, 2015Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 10, 2016Provider: repository / Type: Initial release
Revision 1.1Sep 28, 2016Group: Database references
Revision 1.2Mar 29, 2017Group: Non-polymer description
Revision 2.0Apr 24, 2019Group: Data collection / Derived calculations / Polymer sequence
Category: entity_poly / pdbx_seq_map_depositor_info / struct_conn
Item: _entity_poly.pdbx_seq_one_letter_code_can / _pdbx_seq_map_depositor_info.one_letter_code / _struct_conn.pdbx_leaving_atom_flag
Revision 2.1May 15, 2019Group: Data collection / Experimental preparation / Category: exptl_crystal_grow / struct_biol / Item: _exptl_crystal_grow.method / _exptl_crystal_grow.temp
Revision 2.2Jan 10, 2024Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Other / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / pdbx_struct_conn_angle / struct_conn / struct_conn_type / struct_site
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _pdbx_struct_conn_angle.ptnr1_auth_asym_id / _pdbx_struct_conn_angle.ptnr1_auth_comp_id / _pdbx_struct_conn_angle.ptnr1_auth_seq_id / _pdbx_struct_conn_angle.ptnr1_label_asym_id / _pdbx_struct_conn_angle.ptnr1_label_atom_id / _pdbx_struct_conn_angle.ptnr1_label_comp_id / _pdbx_struct_conn_angle.ptnr1_label_seq_id / _pdbx_struct_conn_angle.ptnr1_symmetry / _pdbx_struct_conn_angle.ptnr2_auth_asym_id / _pdbx_struct_conn_angle.ptnr2_auth_comp_id / _pdbx_struct_conn_angle.ptnr2_auth_seq_id / _pdbx_struct_conn_angle.ptnr2_label_asym_id / _pdbx_struct_conn_angle.ptnr2_label_atom_id / _pdbx_struct_conn_angle.ptnr2_label_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_asym_id / _pdbx_struct_conn_angle.ptnr3_auth_comp_id / _pdbx_struct_conn_angle.ptnr3_auth_seq_id / _pdbx_struct_conn_angle.ptnr3_label_asym_id / _pdbx_struct_conn_angle.ptnr3_label_atom_id / _pdbx_struct_conn_angle.ptnr3_label_comp_id / _pdbx_struct_conn_angle.ptnr3_label_seq_id / _pdbx_struct_conn_angle.ptnr3_symmetry / _pdbx_struct_conn_angle.value / _struct_conn.conn_type_id / _struct_conn.id / _struct_conn.pdbx_dist_value / _struct_conn.pdbx_leaving_atom_flag / _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.ptnr1_symmetry / _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_conn.ptnr2_label_seq_id / _struct_conn.ptnr2_symmetry / _struct_conn_type.id / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
B: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
C: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
D: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
E: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
F: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
G: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
H: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
I: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
J: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
K: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
L: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)559,56531
Polymers553,72312
Non-polymers5,84219
Water32,7871820
1
A: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
B: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
C: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
D: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
E: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
F: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)279,76315
Polymers276,8616
Non-polymers2,9029
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area57460 Å2
ΔGint-297.9 kcal/mol
Surface area60850 Å2
MethodPISA
2
G: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
H: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
I: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
J: METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA
K: METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA
L: METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA
hetero molecules


Theoretical massNumber of molelcules
Total (without water)279,80216
Polymers276,8616
Non-polymers2,94110
Water1086
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area56790 Å2
ΔGint-286.1 kcal/mol
Surface area60840 Å2
MethodPISA
Unit cell
Length a, b, c (Å)216.660, 246.610, 103.650
Angle α, β, γ (deg.)90.00, 90.00, 90.00
Int Tables number18
Space group name H-MP21212
Components on special symmetry positions
IDModelComponents
11L-2007-

HOH

Noncrystallographic symmetry (NCS)NCS oper:
IDCodeMatrixVector
1given(0.98908, -0.12913, -0.07098), (-0.12907, -0.99162, 0.00546), (-0.07109, 0.00376, -0.99746)5.77749, 92.80326, -6.43632
2given(0.03692, 0.11514, -0.99266), (0.04851, 0.99196, 0.11687), (0.99814, -0.05247, 0.03104)-59.89064, -57.84676, 49.63807
3given(0.09358, -0.12344, 0.98793), (-0.08697, -0.9895, -0.1154), (0.99181, -0.07512, -0.10334)-42.36803, 33.87555, 50.24358
4given(0.98865, -0.13177, -0.0722), (-0.13182, -0.99127, 0.00404), (-0.07211, 0.00552, -0.99738)5.9371, 92.58008, -6.53967
5given(0.03808, 0.11327, -0.99283), (0.05256, 0.99195, 0.11518), (0.99789, -0.05657, 0.03182)-59.69933, -57.55694, 49.74099
6given(0.09284, -0.12411, 0.98791), (-0.08996, -0.98919, -0.11582), (0.99161, -0.07812, -0.10301)-42.43921, 33.63229, 50.31127
7given(0.98885, -0.13152, -0.06977), (-0.1317, -0.99129, 0.00209), (-0.06944, 0.00712, -0.99756)5.83942, 92.61015, -6.42697
8given(0.03971, 0.11506, -0.99256), (0.05062, 0.99184, 0.117), (0.99793, -0.05489, 0.03357)-59.67875, -57.65757, 49.64801
9given(0.08979, -0.12901, 0.98757), (-0.08971, -0.98859, -0.12099), (0.99191, -0.07773, -0.10034)-42.40379, 33.75019, 50.28413

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Components

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METHYL-COENZYME M REDUCTASE II SUBUNIT ... , 2 types, 8 molecules ADGJBEHK

#1: Protein
METHYL-COENZYME M REDUCTASE II SUBUNIT ALPHA / MCR II ALPHA / METHYL-COENZYME M REDUCTASE II


Mass: 60811.102 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: GERMAN COLLECTION OF MICROORGANISMS (DSM)
Source: (natural) METHANOTHERMOBACTER MARBURGENSIS (archaea)
Strain: MARBURG
References: UniProt: P58815, coenzyme-B sulfoethylthiotransferase
#2: Protein
METHYL-COENZYME M REDUCTASE II SUBUNIT GAMMA / MCR II GAMMA / METHYL-COENZYME M REDUCTASE II


Mass: 47039.332 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: GERMAN COLLECTION OF MICROORGANISMS (DSM)
Source: (natural) METHANOTHERMOBACTER MARBURGENSIS (archaea)
Strain: MARBURG
References: UniProt: D9PXZ6, coenzyme-B sulfoethylthiotransferase

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Protein , 1 types, 4 molecules CFIL

#3: Protein
METHYL-COENZYME M REDUCTASE II, SUBUNIT BETA / METHYL-COENZYME M REDUCTASE II


Mass: 30580.283 Da / Num. of mol.: 4 / Source method: isolated from a natural source / Details: GERMAN COLLECTION OF MICROORGANISMS (DSM)
Source: (natural) METHANOTHERMOBACTER MARBURGENSIS (archaea)
Strain: MARBURG
References: UniProt: P58816, coenzyme-B sulfoethylthiotransferase

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Non-polymers , 5 types, 1839 molecules

#4: Chemical
ChemComp-COM / 1-THIOETHANESULFONIC ACID


Mass: 142.197 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C2H6O3S2
#5: Chemical
ChemComp-TP7 / Coenzyme B / 7-MERCAPTOHEPTANOYLTHREONINEPHOSPHATE


Mass: 343.334 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C11H22NO7PS
#6: Chemical
ChemComp-F43 / FACTOR 430


Mass: 906.580 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C42H51N6NiO13
#7: Chemical
ChemComp-K / POTASSIUM ION


Mass: 39.098 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: K
#8: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 1820 / Source method: isolated from a natural source / Formula: H2O

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Details

Nonpolymer detailsDIDEHYDROASPARTATE (DYA): DIDEHYDROASPARTATE IS AN ASPARTATE CONTAINING A DOUBLE BOND BETWEEN THE C ...DIDEHYDROASPARTATE (DYA): DIDEHYDROASPARTATE IS AN ASPARTATE CONTAINING A DOUBLE BOND BETWEEN THE C ALPHA AND C BETA
Sequence detailsRESIDUE 402 IS A C2-(S)-METHYLGLUTAMINE. RESIDUE 447 IS A THIOGLYCINE. RESIDUE 452 IS A ...RESIDUE 402 IS A C2-(S)-METHYLGLUTAMINE. RESIDUE 447 IS A THIOGLYCINE. RESIDUE 452 IS A DIDEHYDROASPARTATE. RESIDUE 454 IS A S-METHYLCYSTEINE

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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: 2.5 Å3/Da / Density % sol: 50.92 % / Description: NONE
Crystal growTemperature: 281 K / Method: vapor diffusion, sitting drop / pH: 7
Details: 160 MM POTASSIUM ACETATE, 40% (V/V) PENTAERYTHRITOL PROPOXYLATE 426 (5/4 PO/OH), 100 MM TRIS PH 8.0, AND 3% (W/V) TRIMETHYLAMINE N-OXIDE DEHYDRATE AT 8 DEGREE CELSIUS

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Data collection

DiffractionMean temperature: 77 K
Diffraction sourceSource: SYNCHROTRON / Site: SLS / Beamline: X10SA / Wavelength: 1.00005
DetectorType: DECTRIS PILATUS / Detector: PIXEL / Date: Nov 30, 2013
RadiationProtocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 1.00005 Å / Relative weight: 1
ReflectionResolution: 2.15→69.31 Å / Num. obs: 300218 / % possible obs: 99.9 % / Observed criterion σ(I): 1.9 / Redundancy: 4.2 % / Biso Wilson estimate: 24.86 Å2 / Rmerge(I) obs: 0.16 / Net I/σ(I): 6.7
Reflection shellResolution: 2.15→2.27 Å / Redundancy: 4.4 % / Rmerge(I) obs: 0.87 / Mean I/σ(I) obs: 1.9 / % possible all: 100

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Processing

Software
NameVersionClassification
PHENIX(PHENIX.REFINE)refinement
MOSFLMdata reduction
SCALAdata scaling
MOLREPphasing
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3POT

3pot


Resolution: 2.15→55.361 Å / SU ML: 0.2 / σ(F): 1.33 / Phase error: 18.93 / Stereochemistry target values: ML
RfactorNum. reflection% reflection
Rfree0.1963 15159 5.1 %
Rwork0.1562 --
obs0.1582 300017 99.89 %
Solvent computationShrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
Refinement stepCycle: LAST / Resolution: 2.15→55.361 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms38608 0 367 1820 40795
Refine LS restraints
Refine-IDTypeDev idealNumber
X-RAY DIFFRACTIONf_bond_d0.00639752
X-RAY DIFFRACTIONf_angle_d1.0853945
X-RAY DIFFRACTIONf_dihedral_angle_d13.26514685
X-RAY DIFFRACTIONf_chiral_restr0.0435925
X-RAY DIFFRACTIONf_plane_restr0.0057135
LS refinement shell
Resolution (Å)Rfactor RfreeNum. reflection RfreeRfactor RworkNum. reflection RworkRefine-ID% reflection obs (%)
2.15-2.17440.28724980.23389438X-RAY DIFFRACTION100
2.1744-2.20.2885020.23049407X-RAY DIFFRACTION100
2.2-2.22680.27755100.22299400X-RAY DIFFRACTION100
2.2268-2.2550.27714860.21969489X-RAY DIFFRACTION100
2.255-2.28470.2734980.21319407X-RAY DIFFRACTION100
2.2847-2.3160.25784950.20049411X-RAY DIFFRACTION100
2.316-2.34910.24724890.19619474X-RAY DIFFRACTION100
2.3491-2.38420.23935060.18989372X-RAY DIFFRACTION100
2.3842-2.42140.24755250.19059407X-RAY DIFFRACTION100
2.4214-2.46110.23985140.18829417X-RAY DIFFRACTION99
2.4611-2.50360.24394980.18149403X-RAY DIFFRACTION100
2.5036-2.54910.22645160.17139357X-RAY DIFFRACTION99
2.5491-2.59810.22115050.16829462X-RAY DIFFRACTION100
2.5981-2.65110.22694990.17049467X-RAY DIFFRACTION100
2.6511-2.70880.20835060.16299451X-RAY DIFFRACTION100
2.7088-2.77180.21645140.16259420X-RAY DIFFRACTION100
2.7718-2.84110.21925290.15949444X-RAY DIFFRACTION100
2.8411-2.91790.20645050.15789492X-RAY DIFFRACTION100
2.9179-3.00380.20184810.15899489X-RAY DIFFRACTION100
3.0038-3.10070.21084740.16159499X-RAY DIFFRACTION100
3.1007-3.21150.20255070.16119499X-RAY DIFFRACTION100
3.2115-3.34010.20344770.15799548X-RAY DIFFRACTION100
3.3401-3.49210.17885150.14849476X-RAY DIFFRACTION100
3.4921-3.67620.16515130.13479536X-RAY DIFFRACTION100
3.6762-3.90640.16375340.12739512X-RAY DIFFRACTION100
3.9064-4.2080.14935230.11669558X-RAY DIFFRACTION100
4.208-4.63120.13954950.11479607X-RAY DIFFRACTION100
4.6312-5.30090.14535280.12339640X-RAY DIFFRACTION100
5.3009-6.67680.17455140.15279723X-RAY DIFFRACTION100
6.6768-55.37950.16425030.142710053X-RAY DIFFRACTION100
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)
10.42530.08440.01520.5843-0.21320.0838-0.0697-0.1394-0.0430.19170.04420.1850.0129-0.2841-0.00280.2521-0.05770.12250.273-0.00610.2423-107.048439.94628.6728
20.39960.29490.01170.7922-0.18030.298-0.0494-0.032-0.00740.141-0.00480.16270.0614-0.2199-0.01510.1283-0.03820.08890.1456-0.03530.1487-102.619544.393415.7685
30.87440.1913-0.04541.10490.00560.6298-0.00690.02390.217-0.02140.00120.104-0.27110.01130.02110.1983-0.0138-0.00960.0968-0.0120.1427-87.091181.3767-4.2079
40.21430.07440.05170.1918-0.03490.451-0.03080.00380.07810.12030.00030.072-0.0922-0.03910.02850.12410.00430.02140.06-0.03060.0887-89.094167.36156.1478
50.1730.05640.04870.09930.16690.29030.0134-0.07250.01770.1303-0.01890.0255-0.02530.0018-0.12470.39970.0120.03850.1444-0.05150.0314-82.879857.487439.6585
60.0993-0.02020.04230.2702-0.04250.2163-0.0186-0.06260.0220.2013-0.0054-0.01840.00990.03430.00320.23510.01230.01180.1069-0.02140.0737-79.982353.511225.9584
70.31890.12730.18520.1474-0.08450.7254-0.06370.01060.11630.10240.05120.199-0.1009-0.21150.00150.12650.01350.07960.1552-0.00910.1916-103.635360.337510.158
80.39030.0010.15050.3264-0.07270.3941-0.0416-0.0659-0.07750.0961-0.0214-0.18530.07570.2281-0.04030.15230.1147-0.09480.31650.02170.245-44.277538.789713.8509
92.2706-0.28240.64060.8767-0.53780.43390.0509-0.0221-0.17220.03280.0218-0.04270.14030.043-0.00910.18270.02720.01930.1033-0.01940.1083-71.574529.2766-19.288
100.690.81320.02892.59120.0541.2530.04730.0867-0.1829-0.03260.0237-0.30230.16260.29-0.02530.14970.11650.03980.2432-0.00550.3462-50.57831.9639-14.8612
110.86380.37680.44590.73340.1140.8025-0.0483-0.0653-0.0805-0.0152-0.0009-0.16240.04530.0965-0.02630.09580.04450.02160.155-0.00740.2001-55.668141.8758-14.1645
120.6299-0.0420.46110.6655-0.21480.8122-0.00860.0013-0.0317-0.0422-0.0348-0.09990.12390.1218-0.0190.14360.01040.02520.12980.00520.0972-67.841839.9135-14.5278
130.26420.0682-0.08340.3163-0.04160.4095-0.1080.0438-0.05040.0634-0.0094-0.13040.14260.07020.03840.17420.0595-0.04480.1906-0.0410.1874-56.462439.781713.2131
140.22330.0508-0.11940.0176-0.05180.1578-0.0094-0.0495-0.10880.0596-0.0207-0.08150.07590.11320.00040.31940.1724-0.11190.3040.0660.2827-53.825527.88831.4178
150.52110.0656-0.13410.2535-0.23060.2864-0.0793-0.0347-0.09550.1825-0.0283-0.13960.09710.10560.04290.25920.0695-0.03940.1584-0.00350.1312-65.103235.546624.9977
162.35520.39421.13980.63640.51011.6797-0.24810.17-0.0391-0.11530.0959-0.30040.14350.2750.00190.24360.07870.02820.2616-0.01110.3646-48.693831.90876.1964
170.90210.37790.2150.23090.24320.3925-0.082-0.191-0.26910.13440.0224-0.11180.20040.14260.01290.52320.0661-0.00340.23340.07480.1941-76.12123.018941.8565
180.2334-0.36980.09820.78890.06840.290.02490.0501-0.3058-0.0928-0.0385-0.04960.2991-0.0030.01520.5288-0.01470.09690.1407-0.0460.3351-79.06548.38718.3995
191.26520.67580.09131.68720.58060.45350.02670.1504-0.2768-0.29690.023-0.20790.11750.09890.07310.5540.19440.08380.22850.01180.4074-59.458313.74217.9681
200.3539-0.01470.00410.3396-0.00770.3512-0.0779-0.0437-0.17190.19920.03360.05960.26360.02740.00660.42830.01960.05740.1460.01690.1416-84.681123.860732.1029
210.80860.40990.40211.39050.64841.9558-0.0802-0.1677-0.20150.1783-0.05350.08530.2489-0.17820.02270.4988-0.03070.10590.20320.06670.2184-94.288417.670837.7604
220.39120.2909-0.2440.2493-0.22570.44550.0393-0.14570.00860.2203-0.05360.01570.01970.0933-0.03420.3890.0203-0.05770.1949-0.01480.0884-74.771644.690141.9572
232.1443-0.58280.57582.41230.04144.0406-0.042-0.22590.16250.138-0.0268-0.2802-0.12630.36450.03260.2164-0.0169-0.14150.3253-0.00740.21-48.773956.293126.9634
240.4018-0.08660.14510.6574-0.06350.14940.01370.14710.0743-0.15820.01980.2684-0.0267-0.34210.05150.13390.0058-0.06340.27570.02540.2518-107.300267.1791-27.294
250.2749-0.01010.18160.8697-0.10490.2525-0.04040.05210.0397-0.0080.04870.21640.0081-0.13940.0310.0457-0.0188-0.00990.1725-0.02370.1618-102.559662.129-14.723
260.89240.07510.0820.67550.01310.57150.0593-0.0552-0.28280.0964-0.0396-0.02010.3248-0.0683-0.01960.2693-0.05190.02970.10390.00460.1473-90.464723.33644.214
270.23690.0204-0.09860.4596-0.10080.3804-0.02870.069-0.0349-0.06310.01430.0350.1041-0.03050.00240.1347-0.04340.00390.1076-0.02230.0813-87.697842.9633-17.2851
280.0452-0.00720.01620.107-0.12930.5344-0.02960.027-0.0477-0.01390.05860.20120.0984-0.17850.0410.0945-0.05540.01460.21970.00210.1885-105.253746.4278-9.0213
290.3118-0.0122-0.14830.2234-0.11520.3154-0.04610.00660.03260.0217-0.0056-0.2026-0.05220.2146-0.05790.0576-0.013-0.00160.23380.00820.2689-46.927562.3437-11.5522
301.0475-0.4848-0.42050.92470.27570.60820.0547-0.03590.110.1064-0.0237-0.3109-0.08350.2192-0.03390.1392-0.0298-0.05950.2146-0.01540.2116-53.985666.505313.1252
310.67720.0511-0.30140.6254-0.01530.7023-0.0470.02720.07750.08940.0285-0.2131-0.01790.1804-0.05740.1483-0.0002-0.05270.1502-0.03070.1409-62.052561.812713.8991
320.1053-0.12780.12890.5942-0.020.5436-0.117-0.07970.1050.08870.0101-0.1005-0.08970.07110.00770.08340.0040.01250.2099-0.02950.2265-56.100360.6794-15.456
330.4187-0.04550.15750.02040.02480.1719-0.01060.07050.0777-0.09520.023-0.2083-0.09670.17380.01340.1487-0.09130.07940.23090.07450.265-53.24572.0812-33.8852
340.519-0.05960.07170.3921-0.27640.2896-0.04350.01460.0863-0.01650.02-0.1845-0.03260.0680.02160.125-0.03810.01420.12430.01590.1239-64.936866.0174-26.6226
352.0725-0.1908-0.75540.3790.32981.5226-0.1691-0.20150.1430.2493-0.0251-0.2153-0.1440.22520.00720.2384-0.0004-0.10040.2749-0.02890.3861-46.855467.5056-9.0497
360.5489-0.09650.13150.04190.05640.3199-0.06510.1140.3031-0.1490.0033-0.0918-0.17050.0148-0.01090.3735-0.02850.01880.14910.08570.2344-75.197683.6316-36.867
371.3134-0.7498-0.11891.98590.68480.463-0.0255-0.13120.2320.2048-0.0086-0.2298-0.15150.10840.02330.33-0.1023-0.09790.17750.04030.4779-56.034286.8759-20.0952
380.40340.0613-0.05730.3695-0.01970.3516-0.04860.02940.2599-0.0885-0.0012-0.0299-0.1739-0.06540.01340.2004-0.0039-0.01910.11690.03370.1489-83.287280.1691-32.4142
391.5612-0.2630.60682.3085-0.20843.9261-0.00820.06080.2586-0.0711-0.05640.19-0.2856-0.19650.06140.25380.0337-0.02540.17830.06280.3054-94.349691.4636-31.3385
400.8961-1.5783-0.76493.7052.24411.91190.07490.13450.0631-0.3037-0.15220.1641-0.1117-0.16380.0410.40520.02640.03340.24450.11170.195-89.677482.1438-46.0242
410.167-0.05610.02670.36590.05010.24650.04860.1269-0.0124-0.11570.06990.06370.0976-0.08390.04180.2949-0.0575-0.03020.22590.04580.076-85.017964.1497-47.0049
421.7997-0.79351.15511.0515-0.78041.24040.0790.1953-0.0813-0.2472-0.0378-0.10830.18920.1653-0.0170.221-0.00220.11510.1714-0.01950.1026-62.422748.9923-35.0624
430.36160.08880.12580.6880.09020.2353-0.01690.27720.0665-0.15940.01110.20560.1132-0.23790.0010.2119-0.0753-0.06030.5407-0.03880.2304-87.7499-20.0952-58.3744
440.34490.10880.0780.87590.17830.29350.02180.18920.0396-0.1225-0.0410.10760.0468-0.15920.00150.1252-0.0321-0.01180.3242-0.00390.1337-74.2575-16.9496-54.6002
450.56810.05280.1220.82970.06550.8714-0.01580.0650.254-0.0045-0.0448-0.1094-0.27030.02860.02020.17040.03120.01190.13630.0780.2469-49.500518.1686-41.5902
460.62-0.1228-0.36240.27690.09460.42380.07150.17230.2392-0.0546-0.02760.0123-0.194-0.09760.00280.17290.05920.02080.1690.08290.2112-58.78614.9917-47.4957
470.33970.0382-0.09350.32330.05890.34270.00450.10710.0849-0.0086-0.02210.0172-0.0314-0.11010.02120.08430.02650.00680.15640.04230.1313-62.75820.9124-40.4114
480.1834-0.1123-0.20680.10590.12050.315-0.04970.09260.06780.0016-0.03970.2185-0.0001-0.2305-0.010.08020.03320.01330.4706-0.02570.3495-95.7851-0.2198-34.9099
490.18150.0484-0.07580.0570.01740.2834-0.04170.07140.0558-0.0023-0.02890.13820.056-0.3216-0.0804-0.00170.00570.03570.3199-0.01020.1772-82.4546-5.6152-32.2362
500.6157-0.0111-0.1650.11010.15050.23660.02370.16240.0969-0.1269-0.00380.0286-0.0933-0.132-0.0080.17430.0408-0.02590.32380.05240.1658-66.8994-1.8726-56.6126
510.52530.2018-0.18360.9132-0.29840.67340.0455-0.1587-0.0410.14430.07950.18260.1209-0.20090.0410.3355-0.11070.11080.28790.03770.1574-77.1223-18.95946.8837
521.3899-0.6007-0.73410.4890.24270.4825-0.0124-0.069-0.08390.08930.02560.02570.0926-0.04730.02370.204-0.00830.02910.10960.03180.1089-50.81-27.6659-9.6981
530.4545-0.2289-0.40911.01380.52680.7758-0.0144-0.1126-0.04050.28370.02490.01530.1656-0.1049-0.02390.22620.00230.00690.10260.01510.1196-42.8192-28.563-9.4645
540.27260.2759-0.34340.5670.05051.1020.071-0.0094-0.02060.13510.0303-0.06420.1010.0532-0.00710.19840.03480.00430.07180.00940.0915-37.0619-25.2499-15.3413
550.7190.4721-0.45920.313-0.30450.29750.044-0.036-0.05420.10730.05550.111-0.0563-0.1339-0.00720.12860.01620.0340.16530.02490.1123-50.1548-20.8624-20.8191
560.3864-0.02770.00270.6216-0.05210.47970.15660.0024-0.04710.1168-0.010.0440.2775-0.1213-0.01020.2568-0.02840.02020.1768-0.01390.1455-70.1457-19.4191-8.6536
570.23210.1337-0.01130.0752-0.00630.00010.0181-0.0816-0.04680.0573-0.01790.06630.1166-0.1168-0.05980.3635-0.26470.11960.39210.03620.2513-88.7975-28.5199-4.4827
580.35460.31840.18060.31650.01510.70370.1101-0.0891-0.05840.1899-0.01750.1030.3209-0.26940.13160.1949-0.14230.06270.2928-0.01060.2099-83.0021-22.8041-16.4178
591.6259-0.4945-0.97720.53020.33522.85730.1251-0.158-0.1960.13620.0846-0.12910.22370.1197-0.07360.3608-0.0668-0.03880.19450.02650.2164-64.1418-27.9129-0.4885
600.2194-0.0578-0.12550.0930.1190.1682-0.0226-0.0239-0.0901-0.00390.03530.10390.1707-0.1190.23820.3333-0.31160.10260.6166-0.07250.4238-101.675-33.7145-25.7959
610.21-0.29250.44880.4062-0.6220.95290.07110.1012-0.29850.0278-0.0137-0.01210.283-0.0518-0.1280.4988-0.1615-0.07260.2813-0.09310.4549-80.0815-51.2886-29.0439
620.7925-0.7119-0.05311.46970.3411.35940.008-0.0879-0.16150.18360.0456-0.18730.2240.2069-0.03020.7662-0.1948-0.05280.32070.04040.4205-78.1796-44.8883-9.7711
630.3335-0.02480.13430.27260.13840.42680.05530.1103-0.1730.1293-0.09920.10190.288-0.215-0.0270.267-0.23270.05160.4403-0.06850.3071-92.1733-34.496-35.0806
640.921-0.2003-0.06291.0050.42030.41290.00280.104-0.1766-0.1269-0.01320.24860.108-0.17940.05620.3383-0.2625-0.00210.5146-0.10120.3734-98.9263-40.4535-44.1567
651.07510.4481-0.19520.8419-0.00820.0434-0.05290.09930.0703-0.04380.0130.11530.0278-0.1012-0.05140.1548-0.1144-0.00130.5457-0.01910.3778-104.8551-16.7808-34.0825
660.73750.59510.24060.58630.19460.37740.00130.03740.03270.0205-0.0120.17340.0465-0.1747-0.03680.1007-0.06110.09160.3575-0.04220.3125-94.4171-8.3798-19.3772
672.56980.13490.9670.69150.15781.9186-0.0061-0.1930.07280.15010.01770.1423-0.1111-0.31660.00090.2214-0.01340.15130.2752-0.07480.2377-82.3345-1.3348-2.0049
680.16920.16230.02110.5161-0.0610.32780.00190.30680.0523-0.21940.0311-0.1154-0.08610.12660.01870.22070.03030.07580.34420.10380.1833-28.92740.3837-61.8713
690.38060.06-0.15990.9053-0.16840.42260.01560.23380.0229-0.1728-0.03590.01150.00390.01550.01080.13160.01910.02460.18980.0460.097-41.8296-2.9321-56.4808
700.2643-0.02350.04630.518-0.17840.4306-0.04740.1147-0.21830.0553-0.0650.08620.3153-0.2278-0.03220.2383-0.10720.0650.193-0.07420.2135-64.7044-38.6258-41.7257
710.7854-0.13050.24890.2951-0.15490.42250.04460.1986-0.2396-0.1052-0.0150.10840.26-0.1493-0.00130.2124-0.02870.01990.1453-0.07290.1269-56.3307-35.1787-48.6474
720.45880.0950.07970.24330.06340.35450.0360.1258-0.02040.0157-0.04850.05090.1012-0.09720.0290.1049-0.00510.03470.107-0.01450.0975-51.4242-21.3744-41.5951
730.4952-0.0170.15490.3120.08960.4774-0.01570.0335-0.0408-0.00340.0639-0.18630.0910.13650.10280.07740.07550.05110.1744-0.00680.1894-17.9953-20.3385-40.3291
740.27740.0077-0.02210.33260.00670.2196-0.01670.07860.02860.02280.0077-0.0740.05610.05230.01610.07550.03080.02670.08560.00470.1082-30.8344-15.1135-35.8274
750.6314-0.21250.09890.3108-0.20820.14170.01180.1817-0.0795-0.14420.09320.08410.1073-0.1047-0.03550.16650.01240.03110.2694-0.00390.118-49.5075-17.9722-58.112
760.58950.00370.12320.437-0.03460.444-0.0023-0.19680.0650.17480.0188-0.0737-0.02070.0562-0.00790.22270.0149-0.00850.1531-0.04340.1164-37.6971-2.30191.9138
770.7745-0.31410.54021.1128-0.46191.2795-0.0618-0.06380.19370.2169-0.01360.0376-0.1964-0.1425-0.00220.14970.0560.05090.1802-0.02120.1781-70.48269.8907-11.0051
780.25760.08230.12760.7568-0.15190.4927-0.0196-0.0060.0640.1651-0.0090.0335-0.0883-0.120.00860.16320.03340.04430.1603-0.01470.1533-68.25343.8412-8.551
790.46250.3190.20350.24830.14620.09030.0672-0.01160.05310.0870.0924-0.0963-0.03030.1138-0.01520.10420.00590.02890.20420.00770.1395-61.4279-0.5249-19.7308
800.2667-0.067-0.04030.6681-0.02620.14280.09370.04930.10060.03050.0181-0.0011-0.0901-0.0865-0.03210.18830.05280.03850.10410.00250.1448-39.5558-2.092-10.1626
810.42840.17-0.58080.0706-0.23170.78680.051-0.11120.13660.22660.0694-0.163-0.12910.1744-0.01470.1879-0.0325-0.02080.1662-0.0640.2447-19.7427.1841-8.5185
820.22730.2455-0.15790.37390.05340.53090.03880.02420.14610.12750.004-0.0187-0.10830.062-0.02550.09820.00480.03050.07440.00260.1548-28.15981.4219-19.5692
831.7509-0.96691.31461.2169-0.79282.20790.0782-0.23730.1630.32480.20880.2048-0.1144-0.2326-0.07170.30860.06260.12160.1762-0.00360.2768-44.80685.8129-1.0893
841.5013-0.5616-1.11441.6653-0.76851.80160.0137-0.14180.11670.12420.0482-0.0938-0.08170.2377-0.04310.0781-0.0206-0.03730.2026-0.01260.2476-7.85452.8143-26.4657
850.4664-0.10310.24940.8896-0.79040.75570.03030.04280.0450.14380.0093-0.0711-0.19960.11640.08810.2418-0.13090.00670.21710.01810.5163-8.774719.1081-32.7876
860.24650.511-0.16571.065-0.27611.07150.07990.04320.2649-0.02050.0468-0.0239-0.36220.015-0.00690.3531-0.02020.05660.15760.0990.5179-26.789930.1328-36.8484
870.2976-0.51490.50820.9829-0.68251.26820.0638-0.06920.18990.22050.09010.1464-0.2501-0.1815-0.0490.43160.03290.09580.1592-0.02420.4205-32.681424.0883-13.2591
880.25520.07240.01660.2242-0.0390.54390.02150.08910.2289-0.0282-0.0036-0.1114-0.18790.1364-0.11490.081-0.03390.07290.13730.0910.3317-21.379713.8557-38.7914
892.15220.2704-0.46281.6185-0.29261.1597-0.00440.15870.1718-0.18930.0533-0.0609-0.19130.07240.02910.2552-0.04940.0650.21060.17770.3594-21.575623.881-50.4773
901.5256-0.27670.00260.8953-0.44230.5192-0.0190.09940.1707-0.0922-0.0424-0.2057-0.06870.11260.01930.227-0.12480.06790.31010.1250.3862-9.549316.0919-46.1314
910.2229-0.13190.11241.2148-0.61730.3472-0.00440.1244-0.0256-0.0818-0.0008-0.09330.07290.13960.01270.06840.02410.06180.18950.01250.2505-8.7486-3.9787-40.0834
921.58921.0944-1.05950.7841-0.64770.924-0.0639-0.0397-0.08540.0307-0.0434-0.170.07690.1660.04060.07320.0525-0.03040.11690.00610.181-17.3678-12.891-24.5198
935.30730.6865-2.31733.5576-0.83013.4127-0.0197-0.4005-0.22830.3094-0.0527-0.25910.09280.32880.12310.18030.0918-0.05330.1110.00340.1611-27.3813-20.659-5.2214
Refinement TLS group
IDRefine-IDRefine TLS-IDSelection details
1X-RAY DIFFRACTION1CHAIN A AND (RESID 4 THROUGH 50 )
2X-RAY DIFFRACTION2CHAIN A AND (RESID 51 THROUGH 105 )
3X-RAY DIFFRACTION3CHAIN A AND (RESID 106 THROUGH 142 )
4X-RAY DIFFRACTION4CHAIN A AND (RESID 143 THROUGH 343 )
5X-RAY DIFFRACTION5CHAIN A AND (RESID 344 THROUGH 389 )
6X-RAY DIFFRACTION6CHAIN A AND (RESID 390 THROUGH 515 )
7X-RAY DIFFRACTION7CHAIN A AND (RESID 516 THROUGH 551 )
8X-RAY DIFFRACTION8CHAIN B AND (RESID 2 THROUGH 48 )
9X-RAY DIFFRACTION9CHAIN B AND (RESID 49 THROUGH 78 )
10X-RAY DIFFRACTION10CHAIN B AND (RESID 79 THROUGH 115 )
11X-RAY DIFFRACTION11CHAIN B AND (RESID 116 THROUGH 146 )
12X-RAY DIFFRACTION12CHAIN B AND (RESID 147 THROUGH 184 )
13X-RAY DIFFRACTION13CHAIN B AND (RESID 185 THROUGH 246 )
14X-RAY DIFFRACTION14CHAIN B AND (RESID 247 THROUGH 277 )
15X-RAY DIFFRACTION15CHAIN B AND (RESID 278 THROUGH 407 )
16X-RAY DIFFRACTION16CHAIN B AND (RESID 408 THROUGH 443 )
17X-RAY DIFFRACTION17CHAIN C AND (RESID 3 THROUGH 43 )
18X-RAY DIFFRACTION18CHAIN C AND (RESID 44 THROUGH 58 )
19X-RAY DIFFRACTION19CHAIN C AND (RESID 59 THROUGH 80 )
20X-RAY DIFFRACTION20CHAIN C AND (RESID 81 THROUGH 181 )
21X-RAY DIFFRACTION21CHAIN C AND (RESID 182 THROUGH 216 )
22X-RAY DIFFRACTION22CHAIN C AND (RESID 217 THROUGH 249 )
23X-RAY DIFFRACTION23CHAIN C AND (RESID 250 THROUGH 264 )
24X-RAY DIFFRACTION24CHAIN D AND (RESID 4 THROUGH 50 )
25X-RAY DIFFRACTION25CHAIN D AND (RESID 51 THROUGH 105 )
26X-RAY DIFFRACTION26CHAIN D AND (RESID 106 THROUGH 142 )
27X-RAY DIFFRACTION27CHAIN D AND (RESID 143 THROUGH 515 )
28X-RAY DIFFRACTION28CHAIN D AND (RESID 516 THROUGH 551 )
29X-RAY DIFFRACTION29CHAIN E AND (RESID 2 THROUGH 58 )
30X-RAY DIFFRACTION30CHAIN E AND (RESID 59 THROUGH 126 )
31X-RAY DIFFRACTION31CHAIN E AND (RESID 127 THROUGH 184 )
32X-RAY DIFFRACTION32CHAIN E AND (RESID 185 THROUGH 246 )
33X-RAY DIFFRACTION33CHAIN E AND (RESID 247 THROUGH 277 )
34X-RAY DIFFRACTION34CHAIN E AND (RESID 278 THROUGH 407 )
35X-RAY DIFFRACTION35CHAIN E AND (RESID 408 THROUGH 443 )
36X-RAY DIFFRACTION36CHAIN F AND (RESID 3 THROUGH 58 )
37X-RAY DIFFRACTION37CHAIN F AND (RESID 59 THROUGH 80 )
38X-RAY DIFFRACTION38CHAIN F AND (RESID 81 THROUGH 181 )
39X-RAY DIFFRACTION39CHAIN F AND (RESID 182 THROUGH 201 )
40X-RAY DIFFRACTION40CHAIN F AND (RESID 202 THROUGH 216 )
41X-RAY DIFFRACTION41CHAIN F AND (RESID 217 THROUGH 230 )
42X-RAY DIFFRACTION42CHAIN F AND (RESID 231 THROUGH 263 )
43X-RAY DIFFRACTION43CHAIN G AND (RESID 4 THROUGH 50 )
44X-RAY DIFFRACTION44CHAIN G AND (RESID 51 THROUGH 105 )
45X-RAY DIFFRACTION45CHAIN G AND (RESID 106 THROUGH 142 )
46X-RAY DIFFRACTION46CHAIN G AND (RESID 143 THROUGH 203 )
47X-RAY DIFFRACTION47CHAIN G AND (RESID 204 THROUGH 343 )
48X-RAY DIFFRACTION48CHAIN G AND (RESID 344 THROUGH 389 )
49X-RAY DIFFRACTION49CHAIN G AND (RESID 390 THROUGH 515 )
50X-RAY DIFFRACTION50CHAIN G AND (RESID 516 THROUGH 551 )
51X-RAY DIFFRACTION51CHAIN H AND (RESID 2 THROUGH 32 )
52X-RAY DIFFRACTION52CHAIN H AND (RESID 33 THROUGH 59 )
53X-RAY DIFFRACTION53CHAIN H AND (RESID 60 THROUGH 126 )
54X-RAY DIFFRACTION54CHAIN H AND (RESID 127 THROUGH 161 )
55X-RAY DIFFRACTION55CHAIN H AND (RESID 162 THROUGH 184 )
56X-RAY DIFFRACTION56CHAIN H AND (RESID 185 THROUGH 243 )
57X-RAY DIFFRACTION57CHAIN H AND (RESID 244 THROUGH 277 )
58X-RAY DIFFRACTION58CHAIN H AND (RESID 278 THROUGH 407 )
59X-RAY DIFFRACTION59CHAIN H AND (RESID 408 THROUGH 443 )
60X-RAY DIFFRACTION60CHAIN I AND (RESID 2 THROUGH 43 )
61X-RAY DIFFRACTION61CHAIN I AND (RESID 44 THROUGH 58 )
62X-RAY DIFFRACTION62CHAIN I AND (RESID 59 THROUGH 80 )
63X-RAY DIFFRACTION63CHAIN I AND (RESID 81 THROUGH 181 )
64X-RAY DIFFRACTION64CHAIN I AND (RESID 182 THROUGH 216 )
65X-RAY DIFFRACTION65CHAIN I AND (RESID 217 THROUGH 230 )
66X-RAY DIFFRACTION66CHAIN I AND (RESID 231 THROUGH 249 )
67X-RAY DIFFRACTION67CHAIN I AND (RESID 250 THROUGH 263 )
68X-RAY DIFFRACTION68CHAIN J AND (RESID 4 THROUGH 50 )
69X-RAY DIFFRACTION69CHAIN J AND (RESID 51 THROUGH 105 )
70X-RAY DIFFRACTION70CHAIN J AND (RESID 106 THROUGH 142 )
71X-RAY DIFFRACTION71CHAIN J AND (RESID 143 THROUGH 203 )
72X-RAY DIFFRACTION72CHAIN J AND (RESID 204 THROUGH 343 )
73X-RAY DIFFRACTION73CHAIN J AND (RESID 344 THROUGH 389 )
74X-RAY DIFFRACTION74CHAIN J AND (RESID 390 THROUGH 515 )
75X-RAY DIFFRACTION75CHAIN J AND (RESID 516 THROUGH 551 )
76X-RAY DIFFRACTION76CHAIN K AND (RESID 2 THROUGH 48 )
77X-RAY DIFFRACTION77CHAIN K AND (RESID 49 THROUGH 101 )
78X-RAY DIFFRACTION78CHAIN K AND (RESID 102 THROUGH 161 )
79X-RAY DIFFRACTION79CHAIN K AND (RESID 162 THROUGH 184 )
80X-RAY DIFFRACTION80CHAIN K AND (RESID 185 THROUGH 246 )
81X-RAY DIFFRACTION81CHAIN K AND (RESID 247 THROUGH 277 )
82X-RAY DIFFRACTION82CHAIN K AND (RESID 278 THROUGH 407 )
83X-RAY DIFFRACTION83CHAIN K AND (RESID 408 THROUGH 443 )
84X-RAY DIFFRACTION84CHAIN L AND (RESID 2 THROUGH 22 )
85X-RAY DIFFRACTION85CHAIN L AND (RESID 23 THROUGH 35 )
86X-RAY DIFFRACTION86CHAIN L AND (RESID 36 THROUGH 53 )
87X-RAY DIFFRACTION87CHAIN L AND (RESID 54 THROUGH 80 )
88X-RAY DIFFRACTION88CHAIN L AND (RESID 81 THROUGH 181 )
89X-RAY DIFFRACTION89CHAIN L AND (RESID 182 THROUGH 199 )
90X-RAY DIFFRACTION90CHAIN L AND (RESID 200 THROUGH 216 )
91X-RAY DIFFRACTION91CHAIN L AND (RESID 217 THROUGH 230 )
92X-RAY DIFFRACTION92CHAIN L AND (RESID 231 THROUGH 249 )
93X-RAY DIFFRACTION93CHAIN L AND (RESID 250 THROUGH 264 )

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