PDB-5a3j: Crystal structure of the chloroplastic gamma-ketol reductase from...

Basic information

• Entry: Database: PDB / ID: 5a3j
• Title: Crystal structure of the chloroplastic gamma-ketol reductase from Arabidopsis thaliana bound to 13-Oxo-9(Z),11(E),15(Z)- octadecatrienoic acid.
• Components: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC
• Keywords: OXIDOREDUCTASE / GAMMA-KETOL REDUCTASE / CHLOROPLAST / MEDIUM CHAIN REDUCTASE

Function / homology

Function:

chloroplast inner membrane / Oxidoreductases; Acting on the CH-CH group of donors; With NAD+ or NADP+ as acceptor / chloroplast envelope / plant-type vacuole / chloroplast thylakoid membrane / chloroplast / oxidoreductase activity / plasma membrane / cytosol

Domain/homology:

: / Zinc-binding dehydrogenase / Quinone Oxidoreductase; Chain A, domain 1 / Medium-chain alcohol dehydrogenases, catalytic domain / Alcohol dehydrogenase, N-terminal / Alcohol dehydrogenase GroES-like domain / Polyketide synthase, enoylreductase domain / Enoylreductase / GroES-like superfamily / NAD(P)-binding Rossmann-like Domain / NAD(P)-binding domain superfamily / Alpha-Beta Complex / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta

Component:

(13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid) / Chloroplast envelope quinone oxidoreductase homolog

• Biological species: ARABIDOPSIS THALIANA (thale cress)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.776 Å
• Authors: Mas-y-mas, S. / Curien, G. / Giustini, C. / Rolland, N. / Ferrer, J.L. / Cobessi, D.
• Citation: Journal: Front Plant Sci / Year: 2017; Title: Crystal Structure of the Chloroplastic Oxoene Reductase ceQORH from Arabidopsis thaliana.; Authors: Mas Y Mas, S. / Curien, G. / Giustini, C. / Rolland, N. / Ferrer, J.L. / Cobessi, D.

History

Deposition	Jun 1, 2015	Deposition site: PDBE / Processing site: PDBE
Revision 1.0	Sep 28, 2016	Provider: repository / Type: Initial release
Revision 1.1	Mar 22, 2017	Group: Database references
Revision 1.2	Apr 5, 2017	Group: Database references
Revision 1.3	Aug 9, 2017	Group: Data collection / Category: diffrn_detector / Item: _diffrn_detector.type
Revision 1.4	Jan 10, 2024	Group: Data collection / Database references / Derived calculations / Other / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_database_status / pdbx_initial_refinement_model / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.status_code_sf / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Assembly

Deposited unit

A: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

B: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

C: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

D: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

E: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

F: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

G: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

H: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

I: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

J: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

K: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

L: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• 417 kDa, 12 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	417,281	24
Polymers	413,772	12
Non-polymers	3,509	12
Water	0	0

1

A: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

2

B: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

3

C: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

4

D: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

5

E: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

6

F: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

7

G: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

8

H: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

9

I: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

10

J: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

11

K: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

12

L: PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC

hetero molecules

Summary:

• defined by author&software
• 34.8 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	34,773	2
Polymers	34,481	1
Non-polymers	292	1
Water	0

Symmetry operations:

Type	Name	Symmetry operation	Number
identity operation	1_555	x,y,z	1

Calculated values:

Method	PISA

Unit cell

Length a, b, c (Å)	82.870, 121.010, 122.940
Angle α, β, γ (deg.)	66.73, 79.10, 79.99
Int Tables number	1
Space group name H-M	P1

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID
1	1
2	1
3	1
4	1
5	1
6	1
7	1
8	1
9	1
10	1
11	1
12	1

NCS domain segments:

Dom-ID	Component-ID	Ens-ID	Selection details
1	1	1	CHAIN A AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
2	1	1	CHAIN B AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
3	1	1	CHAIN C AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
4	1	1	CHAIN D AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
5	1	1	CHAIN E AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
6	1	1	CHAIN F AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
7	1	1	CHAIN G AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
8	1	1	CHAIN H AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
9	1	1	CHAIN I AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
10	1	1	CHAIN J AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
11	1	1	CHAIN K AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...
12	1	1	CHAIN L AND (RESSEQ 8:146 OR RESSEQ 157: 207 OR...

NCS oper:

ID	Code	Matrix	Vector
1	given	(0.2512, 0.929, 0.2717), (0.9195, -0.3167, 0.2329), (0.3024, 0.1913, -0.9338)	51.35, -83.4, 43.9
2	given	(-0.6862, -0.5719, 0.4495), (-0.5667, 0.03284, -0.8233), (0.456, -0.8197, -0.3466)	24.06, 3.571, -11.61
3	given	(-0.5783, -0.3502, -0.7368), (-0.3541, -0.706, 0.6134), (-0.735, 0.6156, 0.2843)	57.4, -64.7, 63.57
4	given	(0.6075, -0.1887, 0.7716), (0.6421, 0.6884, -0.3373), (-0.4675, 0.7003, 0.5394)	84.97, -13.14, 46.02
5	given	(0.5974, 0.8016, -0.02389), (0.3307, -0.2191, 0.9179), (0.7306, -0.5563, -0.396)	70.57, 11.92, 21.04
6	given	(-0.9997, 0.02298, 0.003932), (-0.01451, -0.4811, -0.8765), (-0.01825, -0.8764, 0.4813)	-2.417, -85.22, 26.35
7	given	(-0.2587, -0.6803, -0.6858), (-0.9312, -0.01298, 0.3642), (-0.2567, 0.7329, -0.6301)	-21.36, -53.98, 2.776
8	given	(-0.8809, 0.3334, -0.3359), (-0.3118, -0.9428, -0.1182), (-0.3561, 0.000582, 0.9345)	32.51, -9.529, 32.14
9	given	(0.8721, 0.1216, -0.4741), (0.3213, 0.5885, 0.742), (0.3692, -0.7993, 0.4741)	18.53, -51.32, 42.69
10	given	(-0.5702, -0.8164, 0.09143), (-0.8215, 0.5675, -0.05578), (-0.006352, -0.1069, -0.9942)	60.15, -41.98, 22.68
11	given	(0.6142, 0.3288, 0.7174), (0.7885, -0.2176, -0.5753), (-0.03306, 0.919, -0.3929)	21.21, -41.46, -0.6215

Components

#1: Protein

A B C D E F G H I J K L
PUTATIVE QUINONE-OXIDOREDUCTASE HOMOLOG, CHLOROPLASTIC / GAMMA-KETOL REDUCTASE

Details:

Mass: 34481.008 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) ARABIDOPSIS THALIANA (thale cress) / Tissue: CHLOROPLAST / Production host: ESCHERICHIA COLI (E. coli) / References: UniProt: Q9SV68, Oxidoreductases

#2: Chemical

A-501 B-501 C-501 D-501 E-501 F-501 G-501 H-501 I-501 J-501 K-501 L-501
ChemComp-KZH / (13-oxo-9(Z),11(E),15(Z)-octadecatrienoic acid)

Details:

Mass: 292.413 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₁₈H₂₈O₃

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION / Number of used crystals: 1

Sample preparation

• Crystal: Density Matthews: 2.49 ų/Da / Density % sol: 50.6 % / Description: NONE
• Crystal grow: Details: 0.2 M AMMONIUM TARTRATE PH 7.2, 20% PEG3350

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: ESRF / Beamline: BM30A / Wavelength: 0.979691
• Detector: Type: ADSC QUANTUM 315r / Detector: CCD / Date: Mar 15, 2011 / Details: MIRRORS
• Radiation: Monochromator: DOUBLE SI 1 1 1 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.979691 Å / Relative weight: 1
• Reflection: Resolution: 2.78→40.21 Å / Num. obs: 102756 / % possible obs: 94.8 % / Observed criterion σ(I): -3 / Redundancy: 1.82 % / B_iso Wilson estimate: 35.8 Ų / R_merge(I) obs: 0.14 / Net I/σ(I): 6.08
• Reflection shell: Resolution: 2.78→2.94 Å / Redundancy: 1.78 % / R_merge(I) obs: 0.75 / Mean I/σ(I) obs: 1.11 / % possible all: 87

Processing

Software

Name	Version	Classification
PHENIX	(PHENIX.REFINE)	refinement
XDS		data reduction
XDS		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3TQH

3tqh

Resolution: 2.776→40.208 Å / SU ML: 0.44 / σ(F): 1.99 / Phase error: 27.51 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2575	5127	5 %
Rwork	0.2003	-	-
obs	0.2031	102724	94.96 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.776→40.208 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	28136	0	209	0	28345

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.011	28937
X-RAY DIFFRACTION	f_angle_d	1.286	39449
X-RAY DIFFRACTION	f_dihedral_angle_d	15.502	10314
X-RAY DIFFRACTION	f_chiral_restr	0.048	4691
X-RAY DIFFRACTION	f_plane_restr	0.005	5106

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Number	Refine-ID	Type	Rms dev position (Å)
1	1	A	2135	X-RAY DIFFRACTION	POSITIONAL
1	2	B	2135	X-RAY DIFFRACTION	POSITIONAL	0.09
1	3	C	2132	X-RAY DIFFRACTION	POSITIONAL	0.091
1	4	D	2131	X-RAY DIFFRACTION	POSITIONAL	0.089
1	5	E	2135	X-RAY DIFFRACTION	POSITIONAL	0.099
1	6	F	2135	X-RAY DIFFRACTION	POSITIONAL	0.069
1	7	G	2131	X-RAY DIFFRACTION	POSITIONAL	0.073
1	8	H	2135	X-RAY DIFFRACTION	POSITIONAL	0.092
1	9	I	2131	X-RAY DIFFRACTION	POSITIONAL	0.102
1	10	J	2132	X-RAY DIFFRACTION	POSITIONAL	0.109
1	11	K	2134	X-RAY DIFFRACTION	POSITIONAL	0.107
1	12	L	2134	X-RAY DIFFRACTION	POSITIONAL	0.092

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.7761-2.8076	0.369	91	0.3228	1732	X-RAY DIFFRACTION	50
2.8076-2.8407	0.3662	156	0.3265	3305	X-RAY DIFFRACTION	96
2.8407-2.8753	0.3713	180	0.3168	3296	X-RAY DIFFRACTION	96
2.8753-2.9117	0.3713	167	0.3069	3328	X-RAY DIFFRACTION	97
2.9117-2.95	0.3619	158	0.2983	3351	X-RAY DIFFRACTION	97
2.95-2.9904	0.3497	166	0.2941	3329	X-RAY DIFFRACTION	97
2.9904-3.0331	0.3145	185	0.2756	3278	X-RAY DIFFRACTION	97
3.0331-3.0783	0.3306	164	0.276	3342	X-RAY DIFFRACTION	97
3.0783-3.1264	0.3416	166	0.269	3311	X-RAY DIFFRACTION	97
3.1264-3.1777	0.3263	183	0.2601	3366	X-RAY DIFFRACTION	97
3.1777-3.2324	0.3093	189	0.2567	3291	X-RAY DIFFRACTION	97
3.2324-3.2912	0.3116	169	0.2352	3362	X-RAY DIFFRACTION	97
3.2912-3.3545	0.2911	189	0.2304	3321	X-RAY DIFFRACTION	97
3.3545-3.4229	0.3113	173	0.2278	3310	X-RAY DIFFRACTION	97
3.4229-3.4973	0.2753	173	0.2071	3305	X-RAY DIFFRACTION	97
3.4973-3.5786	0.2333	199	0.2011	3330	X-RAY DIFFRACTION	97
3.5786-3.668	0.2697	184	0.1979	3301	X-RAY DIFFRACTION	97
3.668-3.7671	0.2228	186	0.1836	3348	X-RAY DIFFRACTION	97
3.7671-3.8779	0.2468	185	0.1765	3295	X-RAY DIFFRACTION	97
3.8779-4.0029	0.2353	167	0.1835	3336	X-RAY DIFFRACTION	97
4.0029-4.1459	0.2411	164	0.1638	3377	X-RAY DIFFRACTION	97
4.1459-4.3117	0.2285	186	0.1568	3338	X-RAY DIFFRACTION	97
4.3117-4.5077	0.1992	178	0.1516	3313	X-RAY DIFFRACTION	98
4.5077-4.745	0.2104	164	0.1537	3317	X-RAY DIFFRACTION	97
4.745-5.0417	0.2146	157	0.1505	3325	X-RAY DIFFRACTION	97
5.0417-5.4302	0.2242	163	0.16	3312	X-RAY DIFFRACTION	96
5.4302-5.975	0.2706	160	0.1789	3297	X-RAY DIFFRACTION	96
5.975-6.836	0.2201	200	0.1671	3236	X-RAY DIFFRACTION	95
6.836-8.5987	0.1801	170	0.1372	3214	X-RAY DIFFRACTION	95
8.5987-40.2125	0.1585	155	0.143	3031	X-RAY DIFFRACTION	88

Refinement TLS params.

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

ID	L11 (°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)
1	1.0051	-0.4498	-0.2614	0.5429	0.1262	1.3589	0.041	-0.0165	0.0809	-0.0678	-0.0978	0.0479	0.0469	0.1426	-0.0335	0.2806	0.0021	0.0228	0.1857	-0.0195	0.2557	35.991	-43.1118	-4.8812
2	2.5659	0.1397	-0.6763	3.0054	0.1756	1.7872	0.1405	-0.0472	-0.4241	-0.1661	-0.2207	0.1061	0.1278	-0.1152	0.0727	0.3662	0.0603	-0.061	0.2936	-0.0372	0.1882	26.5668	-53.581	-6.9184
3	1.6041	-0.5173	-0.3443	1.4291	0.5281	1.467	0.0462	-0.0049	-0.1825	-0.0132	-0.2248	0.5582	0.1059	-0.0887	0.1183	0.2282	-0.0573	-0.0458	0.187	-0.0232	0.2965	10.4625	-42.7505	6.2626
4	1.6719	-0.3322	-0.166	4.205	1.6794	2.8508	-0.0239	0.1757	-0.0105	-0.3541	-0.3046	0.3858	-0.1482	-0.0041	0.2372	0.2168	0.0515	-0.0474	0.2587	0.0254	0.3229	5.7142	-29.3413	2.1855
5	2.4412	-0.9181	2.1147	1.5306	-0.0788	2.6073	0.2564	-0.0309	-0.1003	0.0727	0.0682	0.1417	0.1059	0.1946	-0.2369	0.2181	-0.0055	0.0135	0.1998	0.0072	0.2278	14.0234	-32.0742	16.9812
6	0.7155	-0.2682	-0.3476	0.6505	0.0642	1.6411	0.1048	-0.0313	-0.3153	-0.1604	-0.2118	0.1619	-0.2131	-0.0901	0.1304	0.2852	0.0808	0.0092	0.2084	0.0558	0.3521	19.9419	-40.7351	-1.9458
7	1.0712	-0.0288	-0.8098	0.9989	0.1107	1.6152	-0.1872	0.0362	0.1989	0.3096	0.2583	0.1949	-0.4061	-0.6538	-0.0323	0.3611	0.0813	0.0325	0.3934	0.0207	0.2346	18.5443	-36.4465	50.6726
8	2.6926	0.1138	-0.0657	2.2807	0.6672	2.1496	-0.0944	0.5862	-0.0073	0.067	-0.2545	0.58	0.2238	-1.0457	0.2309	0.3694	0.0608	0.0562	0.7135	-0.0217	0.348	5.8448	-42.2252	47.6586
9	0.9457	-0.4832	-1.0922	1.7075	0.003	1.4678	-0.177	0.2941	-0.288	0.0249	-0.244	0.5457	0.5252	-0.6545	0.0774	0.7267	-0.3918	0.1859	0.5253	0.0335	0.2542	15.6942	-57.9702	33.4817
10	1.502	0.3675	-0.269	1.6975	0.4532	3.8067	-0.1128	0.0368	-0.3349	-0.0107	-0.2273	0.1203	0.6101	-0.3847	0.0272	1.5898	-0.1186	0.1945	0.3723	0.1164	-0.0466	22.2873	-67.0715	40.1913
11	0.0915	0.3234	-0.1335	1.0892	-0.3072	0.6115	-0.1951	-0.0458	-0.3565	0.2373	0.1059	-0.1631	0.6766	0.2609	0.076	1.5606	0.1682	0.3993	0.3752	-0.061	0.027	28.8362	-66.6228	33.0316
12	4.601	-0.594	-0.2273	2.0458	-1.6928	1.5299	-0.0311	-0.0277	-0.0854	-0.1615	-0.0667	0.0479	0.0106	0.1859	0.0912	1.1306	0.3165	0.0418	0.4996	0.0958	0.0393	31.3626	-58.6839	26.6011
13	3.6879	1.8854	-1.2075	2.8942	-0.0556	2.3709	0.1348	-0.1139	0.3561	0.0326	0.0515	-0.3126	0.0923	-0.182	-0.141	0.2625	0.0129	0.0534	0.1951	0.0589	0.2972	29.8238	-47.7436	25.7393
14	1.1888	-0.0855	-0.8119	0.6311	-0.1399	1.6255	0.0486	0.0374	-0.1119	0.0872	-0.1409	0.1942	0.4602	-0.8516	0.0841	0.3099	-0.2066	-0.0515	0.7425	-0.037	0.3201	13.2065	-52.8249	34.5506
15	1.0438	0.7696	-0.3704	2.3843	0.008	2.2195	-0.2632	-0.037	-0.4045	0.2397	0.0475	-0.0601	0.4243	-0.1207	0.106	0.5085	0.1186	0.0799	0.399	0.0607	0.1032	22.4437	-49.9135	55.4308
16	0.6866	0.0432	-0.375	1.13	0.1433	1.5382	-0.0487	-0.2228	0.1174	0.254	0.1176	-0.3379	-0.2403	0.168	0.0163	0.3465	0.062	-0.1027	0.2772	-0.0521	0.2954	30.0307	-10.6354	38.9647
17	0.9527	-0.521	0.0314	1.8749	0.5415	1.4514	0.0441	0.3667	0.3391	-0.4756	0.1266	-0.3626	-0.6869	0.2833	-0.1424	0.4548	-0.1105	0.1145	0.4459	0.1236	0.4114	38.5062	-5.7561	13.5038
18	0.5448	-0.7153	-0.1878	1.5732	0.812	0.9711	0.1761	-0.1012	0.1531	-0.1963	0.105	-0.5126	-0.2342	0.2056	-0.1954	0.274	-0.0527	0.0032	0.3048	-0.0282	0.2848	35.1114	-12.615	26.0659
19	1.6373	0.5999	-0.5487	0.4045	-0.3521	1.6563	-0.0567	0.4658	-0.3266	-0.1636	-0.0016	0.0046	0.2219	0.1676	-0.0242	0.443	0.1273	0.1008	0.5246	-0.041	0.5054	57.5847	-51.706	6.8279
20	2.4557	0.4363	-0.272	0.573	-0.1685	0.7293	-0.2037	0.6303	0.0958	-0.0354	0.0208	-0.1988	0.0585	0.2731	0.1454	0.2847	0.0174	0.0434	0.5766	0.0816	0.3327	59.8991	-43.5763	10.9804
21	1.6625	-0.3935	-0.8433	0.7086	-0.6443	2.5778	0.1194	0.1403	0.0782	0.146	0.1814	-0.1489	0.0037	0.5127	-0.098	0.305	-0.1516	-0.0565	0.467	0.1453	0.4241	61.5151	-34.3902	31.8609
22	3.3839	-1.17	0.4013	1.1168	0.0409	1.5984	-0.2771	-0.039	-0.0975	0.5953	-0.1063	-0.1087	-0.0358	0.2585	0.3142	0.3704	-0.0347	-0.0093	0.2984	0.0864	0.331	53.374	-39.6195	39.9315
23	1.0311	-0.3325	-0.2754	0.7991	0.198	1.265	-0.1264	-0.0667	0.205	0.0079	-0.0987	-0.3024	0.0573	0.3115	0.2323	0.2702	0.0066	-0.0196	0.4001	0.0853	0.6087	61.078	-43.8858	23.8013
24	0.8783	-0.2672	0.1682	1.6615	0.3564	1.1902	0.0449	0.0432	-0.4774	-0.1618	-0.2414	0.4606	0.2717	-0.2173	0.1343	0.3436	0.0334	0.0392	0.2748	-0.0749	0.4456	-29.4324	-49.6805	-56.9539
25	0.1447	0.4015	-0.3373	2.0439	-0.1741	1.6611	0.1627	0.2605	0.0322	-0.1866	-0.3274	0.7458	0.047	-0.2468	0.1114	0.4529	0.1862	-0.1354	0.4544	-0.2824	0.5863	-45.7487	-34.0828	-69.0591
26	0.7971	0.0583	0.0292	1.3785	0.5341	2.6179	0.5516	0.4176	-0.1649	-0.6072	-0.5666	0.0507	0.1941	0.126	0.0488	0.5752	0.2393	-0.0439	0.4723	-0.1125	0.4125	-40.3931	-22.5864	-69.8338
27	0.5422	-0.7447	0.0535	1.4147	-0.069	0.7941	0.0136	0.0585	-0.0593	-0.6203	-0.2997	0.6994	0.4316	-0.2682	0.197	0.4481	0.1813	-0.0793	0.3857	-0.2249	0.5382	-34.7882	-40.2328	-66.6585
28	1.0638	-0.3374	-0.2463	1.6497	0.2631	0.6714	0.0174	-0.0202	0.1084	-0.069	0.115	-0.2649	-0.0095	0.0435	-0.1835	0.2919	-0.0127	-0.0365	0.2315	0.0161	0.1762	-57.7579	-1.1138	-39.3402
29	0.9792	-0.4411	0.2287	2.7707	-0.481	0.8962	0.1425	0.1451	-0.258	-0.3827	0.0696	0.249	0.0988	-0.0414	-0.0863	0.1779	0.0218	-0.0283	0.2848	-0.0772	0.2301	-66.8291	-16.2942	-45.5967
30	4.946	-1.4649	-0.2499	7.0667	4.1763	5.0971	0.1417	-0.1923	-0.0085	0.2825	0.0459	0.3419	0.2167	-0.2988	-0.0157	0.2902	0.0701	0.0836	0.2586	0.0566	0.4047	-68.4087	-30.9524	-30.1049
31	1.7248	-0.2798	0.3316	0.6386	-1.1216	2.0039	-0.0871	0.0758	-0.1679	-0.2629	-0.0654	0.3954	0.2028	-0.1593	0.0167	0.1876	-0.032	-0.0525	0.1922	-0.0577	0.2724	-62.1042	-36.9399	-29.603
32	4.1082	0.7105	-0.4055	0.8824	-1.3233	2.197	-0.1039	0.1271	0.1247	0.2458	-0.0104	-0.0247	-0.0263	0.3676	0.1599	0.331	0.057	-0.018	0.2357	-0.0295	0.2155	-49.1796	-31.6307	-38.5132
33	1.2075	-0.5833	-0.1957	1.5572	-0.3014	1.2012	-0.0895	0.1481	0.0518	-0.0731	0.0098	0.0278	0.0711	0.0004	0.084	0.229	-0.0353	0.0118	0.2622	0.0402	0.2254	-63.4462	-23.292	-46.3113
34	2.749	1.4113	-0.5614	2.7375	0.8833	1.1929	0.0756	-0.5428	-0.0894	0.5076	0.0725	0.0143	-0.3057	-0.1828	-0.1681	0.4218	0.0457	0.0198	0.181	-0.0084	0.1824	-65.1124	-8.4171	-28.7007
35	1.5132	-1.0059	-0.4592	1.2788	-0.3191	1.7778	0.223	0.3441	0.421	-0.1331	0.1225	0.0491	-0.2093	-0.0954	-0.121	0.4291	0.1325	0.0641	0.4006	0.2843	1.0615	-42.7434	7.1463	-58.7314
36	0.9927	-0.7743	-0.6164	1.3344	1.1608	1.0601	-0.2015	-0.4298	0.916	-0.1074	-0.0616	0.5463	-0.2011	-0.1989	0.0597	0.6869	0.4159	0.5382	0.2254	0.3658	1.1599	-37.4555	14.6248	-48.6013
37	0.8949	0.0983	-0.0681	1.1085	0.1066	1.1644	0.3457	0.3537	1.0863	-0.0728	-0.0238	0.1859	-0.2961	-0.1535	-0.2422	0.2942	0.086	0.1243	0.2904	0.0585	0.6428	-36.9922	3.2598	-51.0485
38	1.5143	0.4578	-0.103	1.9094	0.4096	1.6335	0.15	-0.5099	0.6218	0.3799	0.0915	0.1583	-0.5176	0.0084	-0.1712	0.5676	0.1493	0.4804	0.2177	-0.0917	1.1394	-32.1718	14.6983	-42.4367
39	2.4691	-0.2551	-0.3928	2.175	-0.2472	1.6454	0.371	0.0384	0.3006	-0.1073	-0.1505	0.0518	-0.195	0.5483	-0.1993	0.2575	-0.0265	0.0085	0.381	-0.0213	0.2404	-13.6239	-1.4204	-51.3413
40	1.8717	1.8041	-0.451	3.3358	2.2498	4.6281	0.0651	-0.0219	-0.429	-0.107	0.0097	0.295	0.7318	-0.2084	-0.1049	0.6206	0.187	-0.1078	0.4429	-0.0482	0.2466	-14.9969	-18.3916	-52.8124
41	0.7219	0.2138	-0.5578	1.8987	-0.5094	1.037	0.114	0.0633	0.3084	0.05	0.2817	0.489	-0.1083	0.0337	-0.2812	0.1812	0.041	-0.0152	0.3322	0.0252	0.4102	-22.959	-1.6563	-51.2541
42	0.5111	-0.1382	0.5805	0.8185	-0.629	0.9609	0.0082	-0.0376	-0.2222	0.0047	0.1021	0.124	0.1598	0.1167	-0.1575	0.2255	0.0669	-0.0154	0.2412	0.0513	0.3153	-28.6188	-50.2057	-29.7551
43	2.002	-0.7659	-1.086	1.733	1.3041	1.7915	-0.1922	-0.0086	-0.0125	-0.0847	0.2232	-0.4318	-0.0359	-0.0082	-0.1032	0.2946	-0.0701	0.0505	0.15	0.0757	0.4031	-16.0885	-47.2988	-29.4814
44	1.7391	-0.3005	0.4593	0.9079	-0.02	0.8001	-0.1662	0.2849	-0.0156	0.114	-0.1172	-0.2396	-0.0124	0.3712	0.248	0.1723	0.0117	-0.021	0.3175	0.0757	0.3236	-19.3123	-40.9385	-30.9304
45	0.9166	0.0058	-0.2475	2.3118	0.7405	1.0936	-0.1022	-0.1686	0.1932	-0.0473	0.1163	-0.218	-0.1705	0.1606	-0.0122	0.3235	0.0356	-0.0554	0.2268	0.0525	0.2853	-16.3795	-25.488	-21.106
46	2.7823	0.5762	1.0859	5.134	-0.813	2.4818	0.1634	-0.4364	0.1273	0.3926	0.0859	-0.1201	-0.1108	0.237	-0.1359	0.6723	-0.135	0.058	0.2942	-0.0576	0.2292	-26.8467	-20.6732	-8.721
47	0.8071	-0.5312	-0.0211	0.4295	-0.5625	2.7051	-0.2026	-0.2336	-0.1287	0.416	-0.0027	0.3539	-0.4478	0.1067	0.0671	0.5313	0.0514	0.0558	0.3332	-0.0951	0.3773	-32.6116	-14.3105	-12.9898
48	4.3658	-0.3856	0.0756	0.2148	-0.1329	2.8347	0.123	0.3244	0.1217	-0.2891	0.2065	0.3518	-0.006	-0.0511	-0.1769	0.5109	0.0481	0.0781	0.1606	0.0394	0.6299	-34.8126	-12.3046	-23.1961
49	4.8096	-0.3446	2.4231	3.8841	-0.5832	4.0321	0.0043	0.1707	0.0134	0.3655	-0.2296	-0.2901	0.1314	-0.0179	0.1122	0.2274	0.061	-0.0855	0.3102	-0.0222	0.3329	-33.2137	-16.9545	-33.1026
50	0.8297	-0.6786	-0.1939	1.8604	-0.6325	1.0669	-0.1218	-0.0178	0.0543	0.0733	-0.0419	0.02	-0.0765	0.2161	0.2334	0.2774	-0.0515	-0.1008	0.2158	-0.006	0.3348	-17.122	-22.7401	-23.9967
51	1.2085	0.0098	0.1435	1.7513	0.0189	2.2268	-0.0862	-0.2467	-0.0952	0.2207	0.0099	-0.1169	-0.1802	-0.0985	0.003	0.2807	0.0294	0.0721	0.2869	0.1091	0.2384	-27.2334	-41.8975	-16.5946
52	1.0634	0.2032	0.2248	1.0003	-0.2792	1.2463	0.0413	-0.0273	0.1375	-0.2717	0.0232	-0.2278	-0.2866	0.2224	-0.0204	0.2644	-0.0503	0.0416	0.217	-0.0374	0.2393	28.7452	32.2303	-26.1596
53	2.7753	1.1918	0.1707	1.6963	-0.4703	2.2233	-0.0152	-0.0803	-0.1887	0.0238	0.1019	-0.5136	0.4873	0.4543	-0.0572	0.2805	0.0691	-0.1179	0.3432	-0.0118	0.4652	40.1096	9.3365	-16.8882
54	2.6683	-1.3603	-1.2571	1.4035	0.2363	0.8701	0.0068	0.0206	-0.0968	0.2089	-0.4326	0.1807	0.3557	0.3192	0.1323	0.3302	-0.1008	-0.1301	0.3129	-0.0812	0.4064	28.6935	15.1193	-5.2995
55	0.4049	-0.0832	-0.0851	0.644	0.0147	1.9098	0.1061	-0.0626	-0.1066	-0.067	-0.0153	-0.2784	-0.1347	0.2873	-0.0803	0.2959	-0.0301	-0.0073	0.2215	-0.0262	0.3101	32.9272	25.2129	-23.8465
56	1.2155	-0.496	0.0314	1.3073	-0.5694	1.3138	0.2032	0.1683	0.0286	-0.4315	-0.0774	-0.1516	0.0042	-0.0552	-0.1347	0.2786	0.0295	0.0312	0.2186	0.0144	0.2241	0.3891	45.0471	-24.8225
57	2.5698	0.3572	0.0392	1.6685	-0.3138	2.1118	0.198	0.2025	-0.4289	-0.1217	0.1036	0.0318	0.297	-0.3481	-0.2499	0.2713	-0.0456	-0.059	0.3069	-0.0469	0.3037	-11.9932	39.3014	-29.0233
58	1.9308	0.2402	-0.2864	0.9313	-0.4187	2.3063	0.0972	-0.0595	-0.0756	0.2318	0.3271	0.2382	-0.0101	-0.3724	-0.313	0.1149	-0.0026	0.0188	0.1901	0.0724	0.494	-18.7666	36.3327	-4.781
59	1.324	-0.1671	-0.0309	1.0383	0.3079	0.951	0.0483	-0.2745	0.1264	0.2983	0.0964	-0.0285	0.0807	-0.1066	-0.0228	0.4091	0.1278	0.0486	0.3401	0.0275	0.3263	-16.0804	39.2464	7.3534
60	3.4476	-1.3712	0.0523	1.7066	1.7042	2.6199	-0.0344	-0.1264	0.0507	0.2041	0.4129	-0.0416	-0.2038	0.1133	-0.235	0.2143	0.0055	-0.0073	0.1806	0.0613	0.3736	-4.1252	30.0752	3.173
61	0.7445	-0.4543	0.0298	1.4367	-0.763	1.1728	0.0827	0.04	-0.0097	-0.3238	-0.1048	0.0482	0.2109	-0.1323	-0.0518	0.2437	-0.0277	-0.0068	0.2011	0.0104	0.2404	-11.7463	41.8407	-13.7226
62	0.4676	-0.3824	0.3701	0.4231	-0.3552	0.3052	-0.0338	-0.5233	-0.1553	0.7587	-0.1436	-0.3931	-0.2789	0.0128	0.1036	2.4586	0.1577	-0.1079	0.4706	0.2967	-0.0762	15.2592	21.0797	28.7787
63	0.5877	0.2661	-0.1594	0.19	0.0242	0.6881	-0.0388	-0.5828	-0.3268	1.4754	-0.2443	-0.3723	-0.1485	0.0602	0.0521	1.5214	0.1053	-0.0528	0.3588	-0.1017	-0.2527	14.3786	23.7289	20.5807
64	0.7212	0.0101	0.2453	0.7675	-0.0673	0.5635	-0.0595	-0.2815	-0.0759	0.7742	0.1341	-0.57	-0.3183	0.3828	0.0184	2.1384	-0.163	-1.562	0.4555	0.1729	-0.3255	28.8264	23.9339	26.9912
65	0.446	0.441	0.3237	1.4901	0.0756	1.3862	0.0778	0.2136	0.2252	1.3721	0.1991	-0.9923	-0.3711	0.0871	-0.0909	0.9787	-0.0107	-0.3632	0.2747	-0.2485	0.6058	23.9768	43.6574	9.1012
66	0.142	0.1489	0.1516	0.2578	0.1185	0.191	-0.1893	-0.4018	-0.0795	0.4442	-0.2023	0.2192	0.0596	-0.3856	0.2144	2.9725	0.2421	0.1547	0.14	-0.8596	-0.6857	13.4954	36.2607	29.4124
67	-0.0254	0.148	0.1561	0.9713	-0.5702	1.8239	-0.0058	0.0769	0.054	0.325	-0.1028	0.0524	-0.1695	-0.0667	0.0849	0.3454	0.0591	0.0493	0.2535	0.032	0.2026	8.0706	1.2855	13.295
68	0.9667	-0.0906	0.2293	1.7502	-0.5614	2.2971	-0.0029	-0.1355	0.4251	0.228	0.3134	0.2584	0.152	-0.7984	-0.2541	0.2849	0.0094	0.0769	0.3513	0.0784	0.2972	-7.6305	1.2592	6.1354
69	1.5126	0.7633	-0.2614	2.2845	-0.4436	2.841	0.2228	-0.0368	-0.1349	-0.2799	0.2031	0.2246	0.4669	-0.2837	-0.1982	0.2429	-0.103	-0.0542	0.2383	-0.0124	0.2559	-3.4454	-3.6133	-14.1466
70	1.0786	0.0223	-0.3933	2.707	1.0406	1.31	0.1159	0.0057	0.1915	-0.0594	-0.0328	-0.173	0.117	-0.1386	-0.0894	0.2485	0.0056	-0.0238	0.204	0.0121	0.1844	2.4415	8.7402	-18.52
71	0.6938	-0.0554	0.0127	1.6209	-0.8868	1.4973	0.063	0.0928	-0.0609	0.055	-0.0488	0.177	0.1614	-0.1851	0.012	0.2931	0.0094	0.0174	0.2601	-0.0182	0.1352	-0.194	-1.5274	-0.9621

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	CHAIN A AND (RESSEQ 4:80)
2	X-RAY DIFFRACTION	2	CHAIN A AND (RESSEQ 81:131)
3	X-RAY DIFFRACTION	3	CHAIN A AND (RESSEQ 132:178)
4	X-RAY DIFFRACTION	4	CHAIN A AND (RESSEQ 179:212)
5	X-RAY DIFFRACTION	5	CHAIN A AND (RESSEQ 213:265)
6	X-RAY DIFFRACTION	6	CHAIN A AND (RESSEQ 266:329)
7	X-RAY DIFFRACTION	7	CHAIN B AND (RESSEQ 5:80)
8	X-RAY DIFFRACTION	8	CHAIN B AND (RESSEQ 81:131)
9	X-RAY DIFFRACTION	9	CHAIN B AND (RESSEQ 132:178)
10	X-RAY DIFFRACTION	10	CHAIN B AND (RESSEQ 179:198)
11	X-RAY DIFFRACTION	11	CHAIN B AND (RESSEQ 199:227)
12	X-RAY DIFFRACTION	12	CHAIN B AND (RESSEQ 228:245)
13	X-RAY DIFFRACTION	13	CHAIN B AND (RESSEQ 246:265)
14	X-RAY DIFFRACTION	14	CHAIN B AND (RESSEQ 266:299)
15	X-RAY DIFFRACTION	15	CHAIN B AND (RESSEQ 300:329)
16	X-RAY DIFFRACTION	16	CHAIN C AND (RESSEQ 3:178)
17	X-RAY DIFFRACTION	17	CHAIN C AND (RESSEQ 179:233)
18	X-RAY DIFFRACTION	18	CHAIN C AND (RESSEQ 234:329)
19	X-RAY DIFFRACTION	19	CHAIN D AND (RESSEQ 4:46)
20	X-RAY DIFFRACTION	20	CHAIN D AND (RESSEQ 47:131)
21	X-RAY DIFFRACTION	21	CHAIN D AND (RESSEQ 132:178)
22	X-RAY DIFFRACTION	22	CHAIN D AND (RESSEQ 179:265)
23	X-RAY DIFFRACTION	23	CHAIN D AND (RESSEQ 266:329)
24	X-RAY DIFFRACTION	24	CHAIN E AND (RESSEQ 3:131)
25	X-RAY DIFFRACTION	25	CHAIN E AND (RESSEQ 132:178)
26	X-RAY DIFFRACTION	26	CHAIN E AND (RESSEQ 179:265)
27	X-RAY DIFFRACTION	27	CHAIN E AND (RESSEQ 266:329)
28	X-RAY DIFFRACTION	28	CHAIN F AND (RESSEQ 3:80)
29	X-RAY DIFFRACTION	29	CHAIN F AND (RESSEQ 81:179)
30	X-RAY DIFFRACTION	30	CHAIN F AND (RESSEQ 180:197)
31	X-RAY DIFFRACTION	31	CHAIN F AND (RESSEQ 198:223)
32	X-RAY DIFFRACTION	32	CHAIN F AND (RESSEQ 224:265)
33	X-RAY DIFFRACTION	33	CHAIN F AND (RESSEQ 266:299)
34	X-RAY DIFFRACTION	34	CHAIN F AND (RESSEQ 300:329)
35	X-RAY DIFFRACTION	35	CHAIN G AND (RESSEQ 5:21)
36	X-RAY DIFFRACTION	36	CHAIN G AND (RESSEQ 22:46)
37	X-RAY DIFFRACTION	37	CHAIN G AND (RESSEQ 47:80)
38	X-RAY DIFFRACTION	38	CHAIN G AND (RESSEQ 81:107)
39	X-RAY DIFFRACTION	39	CHAIN G AND (RESSEQ 108:227)
40	X-RAY DIFFRACTION	40	CHAIN G AND (RESSEQ 228:245)
41	X-RAY DIFFRACTION	41	CHAIN G AND (RESSEQ 246:329)
42	X-RAY DIFFRACTION	42	CHAIN H AND (RESSEQ 3:21)
43	X-RAY DIFFRACTION	43	CHAIN H AND (RESSEQ 22:46)
44	X-RAY DIFFRACTION	44	CHAIN H AND (RESSEQ 47:107)
45	X-RAY DIFFRACTION	45	CHAIN H AND (RESSEQ 108:179)
46	X-RAY DIFFRACTION	46	CHAIN H AND (RESSEQ 180:198)
47	X-RAY DIFFRACTION	47	CHAIN H AND (RESSEQ 199:227)
48	X-RAY DIFFRACTION	48	CHAIN H AND (RESSEQ 228:245)
49	X-RAY DIFFRACTION	49	CHAIN H AND (RESSEQ 246:265)
50	X-RAY DIFFRACTION	50	CHAIN H AND (RESSEQ 266:299)
51	X-RAY DIFFRACTION	51	CHAIN H AND (RESSEQ 300:329)
52	X-RAY DIFFRACTION	52	CHAIN I AND (RESSEQ 5:179)
53	X-RAY DIFFRACTION	53	CHAIN I AND (RESSEQ 180:212)
54	X-RAY DIFFRACTION	54	CHAIN I AND (RESSEQ 213:265)
55	X-RAY DIFFRACTION	55	CHAIN I AND (RESSEQ 266:329)
56	X-RAY DIFFRACTION	56	CHAIN J AND (RESSEQ 3:80)
57	X-RAY DIFFRACTION	57	CHAIN J AND (RESSEQ 81:131)
58	X-RAY DIFFRACTION	58	CHAIN J AND (RESSEQ 132:198)
59	X-RAY DIFFRACTION	59	CHAIN J AND (RESSEQ 199:227)
60	X-RAY DIFFRACTION	60	CHAIN J AND (RESSEQ 228:265)
61	X-RAY DIFFRACTION	61	CHAIN J AND (RESSEQ 266:329)
62	X-RAY DIFFRACTION	62	CHAIN K AND (RESSEQ 6:46)
63	X-RAY DIFFRACTION	63	CHAIN K AND (RESSEQ 47:80)
64	X-RAY DIFFRACTION	64	CHAIN K AND (RESSEQ 81:131)
65	X-RAY DIFFRACTION	65	CHAIN K AND (RESSEQ 132:299)
66	X-RAY DIFFRACTION	66	CHAIN K AND (RESSEQ 300:329)
67	X-RAY DIFFRACTION	67	CHAIN L AND (RESSEQ 3:80)
68	X-RAY DIFFRACTION	68	CHAIN L AND (RESSEQ 81:157)
69	X-RAY DIFFRACTION	69	CHAIN L AND (RESSEQ 158:198)
70	X-RAY DIFFRACTION	70	CHAIN L AND (RESSEQ 199:265)
71	X-RAY DIFFRACTION	71	CHAIN L AND (RESSEQ 266:329)