PDB-9dyr: Crystal Structure of Rubisco in complex with CABP from Methanococ...

ID or keywords:

Entry

Database: PDB / ID: 9dyr

Title

Crystal Structure of Rubisco in complex with CABP from Methanococcoides burtonii

Components

ribulose-1,5-bisphosphate carboxylase

Keywords

LIGASE / carboxylase oxygenase ribulose-1 / 5-biphosphate

Function / homology

2-CARBOXYARABINITOL-1,5-DIPHOSPHATE

Function and homology information

Biological species

Methanococcoides burtonii (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.66 Å

Authors

Pereira, J.H. / Liu, A.K. / Shih, P.M. / Adams, P.D.

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: Ligand-mediated emergence of higher-order protein complexity
Authors: Liu, A.K. / Kaeser, B. / Pereira, J.H. / Taylor-Kearney, L.J. / Hammel, M. / Nogales, N. / Adams, P.D. / Shih, P.M.

#1: Journal: Acta Crystallogr D Struct Biol / Year: 2019
Title: Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix.
Authors: Dorothee Liebschner / Pavel V Afonine / Matthew L Baker / Gábor Bunkóczi / Vincent B Chen / Tristan I Croll / Bradley Hintze / Li Wei Hung / Swati Jain / Airlie J McCoy / Nigel W Moriarty ...
Abstract: Diffraction (X-ray, neutron and electron) and electron cryo-microscopy are powerful methods to determine three-dimensional macromolecular structures, which are required to understand biological ...

History

Deposition	Oct 14, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 19, 2025	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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PDBx/mmCIF format	9dyr.cif.gz	2.1 MB	Display	PDBx/mmCIF format
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Validation report

Summary document	9dyr_validation.pdf.gz	8.3 MB	Display	wwPDB validaton report
Full document	9dyr_full_validation.pdf.gz	8.4 MB	Display
Data in XML	9dyr_validation.xml.gz	191.5 KB	Display
Data in CIF	9dyr_validation.cif.gz	240.2 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/dy/9dyr ftp://data.pdbj.org/pub/pdb/validation_reports/dy/9dyr	HTTPS FTP

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Related structure data

Related structure data	9dypC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#11 - Nov 2000 Rubisco similarity (1)

Deposited unit

A: ribulose-1,5-bisphosphate carboxylase

B: ribulose-1,5-bisphosphate carboxylase

C: ribulose-1,5-bisphosphate carboxylase

D: ribulose-1,5-bisphosphate carboxylase

E: ribulose-1,5-bisphosphate carboxylase

F: ribulose-1,5-bisphosphate carboxylase

G: ribulose-1,5-bisphosphate carboxylase

H: ribulose-1,5-bisphosphate carboxylase

I: ribulose-1,5-bisphosphate carboxylase

J: ribulose-1,5-bisphosphate carboxylase

hetero molecules

529 kDa, 10 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author
Evidence: SAXS

Unit cell

Length a, b, c (Å)	80.844, 247.856, 266.093
Angle α, β, γ (deg.)	90.000, 90.000, 90.000
Int Tables number	19
Space group name H-M	P2₁2₁2₁
Space group name Hall	P2ac2ab
Symmetry operation	#1: x,y,z #2: x+1/2,-y+1/2,-z #3: -x,y+1/2,-z+1/2 #4: -x+1/2,-y,z+1/2

Noncrystallographic symmetry (NCS)

NCS domain:

ID	Ens-ID	Details
d_1	ens_1	chain "A"
d_2	ens_1	chain "B"
d_3	ens_1	chain "C"
d_4	ens_1	chain "D"
d_5	ens_1	chain "E"
d_6	ens_1	chain "F"
d_7	ens_1	chain "G"
d_8	ens_1	chain "H"
d_9	ens_1	chain "I"
d_10	ens_1	chain "J"

NCS domain segments:

Ens-ID: ens_1

Dom-ID	Component-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
d_1	1	MET	MET	ASP	ASP	A	A	1 - 457	1 - 457
d_1	2	CAP	CAP	CAP	CAP	A	K	501
d_1	3	MG	MG	MG	MG	A	L	502
d_2	1	MET	MET	ASP	ASP	B	B	1 - 457	1 - 457
d_2	2	CAP	CAP	CAP	CAP	B	O	501
d_2	3	MG	MG	MG	MG	B	P	502
d_3	1	MET	MET	ASP	ASP	C	C	1 - 457	1 - 457
d_3	2	CAP	CAP	CAP	CAP	C	R	501
d_3	3	MG	MG	MG	MG	C	S	502
d_4	1	MET	MET	ASP	ASP	D	D	1 - 457	1 - 457
d_4	2	CAP	CAP	CAP	CAP	D	U	502
d_4	3	MG	MG	MG	MG	D	V	503
d_5	1	MET	MET	ASP	ASP	E	E	1 - 457	1 - 457
d_5	2	CAP	CAP	CAP	CAP	E	W	501
d_5	3	MG	MG	MG	MG	E	X	502
d_6	1	MET	MET	ASP	ASP	F	F	1 - 457	1 - 457
d_6	2	CAP	CAP	CAP	CAP	F	Z	501
d_6	3	MG	MG	MG	MG	F	AA	502
d_7	1	MET	MET	ASP	ASP	G	G	1 - 457	1 - 457
d_7	2	CAP	CAP	CAP	CAP	G	CA	501
d_7	3	MG	MG	MG	MG	G	DA	502
d_8	1	MET	MET	ASP	ASP	H	H	1 - 457	1 - 457
d_8	2	CAP	CAP	CAP	CAP	H	FA	501
d_8	3	MG	MG	MG	MG	H	GA	502
d_9	1	MET	MET	ASP	ASP	I	I	1 - 457	1 - 457
d_9	2	CAP	CAP	CAP	CAP	I	JA	502
d_9	3	MG	MG	MG	MG	I	KA	503
d_10	1	MET	MET	ASP	ASP	J	J	1 - 457	1 - 457
d_10	2	CAP	CAP	CAP	CAP	J	MA	502
d_10	3	MG	MG	MG	MG	J	NA	503

NCS oper:

ID	Code	Matrix	Vector
1	given	(-0.999998414515, 0.0011362543929, -0.00137109172777), (0.000848595796537, 0.980991168435, 0.194050527797), (0.00156551964071, 0.19404905663, -0.980990577309)	-79.3090462743, -6.6753198173, 68.6138099573
2	given	(0.999883409194, 0.01346372593, -0.00720389490362), (-0.0111627320132, 0.322578679548, -0.946476829571), (-0.0104192817268, 0.946446894223, 0.322691361805)	0.0672965710882, 27.6488368265, 28.2023591025
3	given	(-0.999761362031, -0.0165429357318, 0.0142671043491), (-0.0204290197362, 0.476675844785, -0.878841734416), (0.00773783831264, -0.878923472366, -0.47690004779)	-79.9354433824, 25.3659948838, 44.4252823147
4	given	(-0.999838670225, 0.0122965247974, 0.0130930897858), (0.0146574702143, 0.137216128646, 0.990432679492), (0.0103822969111, 0.990464804785, -0.137374227545)	-80.0389460681, -38.1417649359, 44.9585477176
5	given	(0.999735456786, -0.013765484609, -0.018426282273), (0.0216772641587, 0.296113814736, 0.954906647239), (-0.00768847602031, -0.955053464554, 0.296333877882)	0.605960288183, -36.5216532959, 16.9388217546
6	given	(-0.999402810112, 0.0133415401075, 0.0318751697771), (0.00231566896225, -0.894524401033, 0.447013124677), (0.0344769606842, 0.4468199853, 0.893959305516)	-80.5182371437, -26.5750887218, 7.32739902966
7	given	(0.999166532556, 0.00325005451153, -0.0406900155499), (0.0258709314767, -0.821472056991, 0.569661614019), (-0.0315742794741, -0.570239508214, -0.820871468713)	1.34358438549, -29.7504078598, 55.9661307966
8	given	(-0.999215406459, -0.00625952372568, 0.0391074143684), (-0.0236939482258, -0.696756968385, -0.716915841522), (0.031735915196, -0.717279963034, 0.696061984536)	-80.8188998941, 12.8080897095, 6.17586259941
9	given	(0.999519669423, 0.0158991240759, -0.0266016595364), (-0.00379632123184, -0.789093075496, -0.614261919827), (-0.0307574118153, 0.61406785949, -0.788653691781)	0.708589312987, 9.93684183362, 63.1642296851

#1: Protein	ribulose-1,5-bisphosphate carboxylase Mass: 52481.395 Da / Num. of mol.: 10 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Methanococcoides burtonii (archaea) / Production host: Escherichia coli (E. coli)
#2: Sugar	ChemComp-CAP / 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE Type: saccharide / Mass: 356.115 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₆H₁₄O₁₃P₂ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-MG / MAGNESIUM ION Mass: 24.305 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: Mg / Feature type: SUBJECT OF INVESTIGATION
#4: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 347 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	Y

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.54 Å³/Da / Density % sol: 51.57 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, sitting drop / Details: 0.2 M ammonium sulfate, 20 % PEG 3,350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: ALS / Beamline: 8.2.2 / Wavelength: 1.00002 Å
Detector	Type: DECTRIS PILATUS3 2M / Detector: PIXEL / Date: Dec 16, 2022
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1.00002 Å / Relative weight: 1
Reflection	Resolution: 2.66→49.18 Å / Num. obs: 1145457 / % possible obs: 99.5 % / Redundancy: 7.4 % / B_iso Wilson estimate: 42.8 Å² / CC_1/2: 0.996 / Net I/σ(I): 9.6
Reflection shell	Resolution: 2.66→2.69 Å / Num. unique obs: 57131 / CC_1/2: 0.759

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Processing

Software

Name	Version	Classification
PHENIX	1.21.2_5419	refinement
xia2		data reduction
xia2		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.66→49.18 Å / SU ML: 0.3464 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 30.7968
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2771	3824	1.3 %
R_work	0.2525	291454	-
obs	0.2529	295278	99.55 %

Solvent computation

Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL

Refinement step

Cycle: LAST / Resolution: 2.66→49.18 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	35990	0	230	347	36567

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0052	37040
X-RAY DIFFRACTION	f_angle_d	0.8855	50110
X-RAY DIFFRACTION	f_chiral_restr	0.0546	5320
X-RAY DIFFRACTION	f_plane_restr	0.0062	6460
X-RAY DIFFRACTION	f_dihedral_angle_d	13.3374	13510

Refine LS restraints NCS

Ens-ID	Dom-ID	Asym-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)
ens_1	d_2	A	A	X-RAY DIFFRACTION	Torsion NCS	0.635828863651
ens_1	d_3	A	A	X-RAY DIFFRACTION	Torsion NCS	0.660366154014
ens_1	d_4	A	A	X-RAY DIFFRACTION	Torsion NCS	0.805644351505
ens_1	d_5	A	A	X-RAY DIFFRACTION	Torsion NCS	0.758066388468
ens_1	d_6	A	A	X-RAY DIFFRACTION	Torsion NCS	0.787651165195
ens_1	d_7	A	A	X-RAY DIFFRACTION	Torsion NCS	0.856931654807
ens_1	d_8	A	A	X-RAY DIFFRACTION	Torsion NCS	0.889666775386
ens_1	d_9	A	A	X-RAY DIFFRACTION	Torsion NCS	0.81287960788
ens_1	d_10	A	A	X-RAY DIFFRACTION	Torsion NCS	0.892028663787

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
2.66-2.69	0.3552	134	0.3293	10849	X-RAY DIFFRACTION	99.47
2.69-2.73	0.2984	127	0.3254	10752	X-RAY DIFFRACTION	99.51
2.73-2.77	0.3422	129	0.33	10749	X-RAY DIFFRACTION	99.11
2.77-2.81	0.3444	168	0.3164	10813	X-RAY DIFFRACTION	99.66
2.81-2.85	0.3479	145	0.3248	10725	X-RAY DIFFRACTION	99.47
2.85-2.89	0.3791	126	0.321	10926	X-RAY DIFFRACTION	99.69
2.89-2.94	0.3738	163	0.333	10648	X-RAY DIFFRACTION	99.58
2.94-2.99	0.3239	127	0.3129	10981	X-RAY DIFFRACTION	99.69
2.99-3.04	0.362	146	0.3137	10650	X-RAY DIFFRACTION	99.6
3.04-3.1	0.2669	123	0.3046	10950	X-RAY DIFFRACTION	99.74
3.1-3.17	0.3694	156	0.3061	10681	X-RAY DIFFRACTION	99.56
3.17-3.24	0.2823	136	0.2909	10962	X-RAY DIFFRACTION	99.84
3.24-3.31	0.3516	157	0.2899	10731	X-RAY DIFFRACTION	99.62
3.31-3.39	0.2911	128	0.2793	10739	X-RAY DIFFRACTION	99.29
3.39-3.49	0.2655	152	0.276	10769	X-RAY DIFFRACTION	99.26
3.49-3.59	0.3091	135	0.2692	10744	X-RAY DIFFRACTION	99.25
3.59-3.7	0.2911	145	0.2522	10795	X-RAY DIFFRACTION	99.33
3.7-3.84	0.2575	140	0.2359	10837	X-RAY DIFFRACTION	99.48
3.84-3.99	0.257	149	0.2314	10728	X-RAY DIFFRACTION	99.59
3.99-4.17	0.2612	131	0.2249	10764	X-RAY DIFFRACTION	99.58
4.17-4.39	0.2312	143	0.2205	10837	X-RAY DIFFRACTION	99.73
4.39-4.67	0.2833	138	0.2071	10817	X-RAY DIFFRACTION	99.73
4.67-5.03	0.2739	151	0.2108	10836	X-RAY DIFFRACTION	99.56
5.03-5.53	0.2374	137	0.2252	10762	X-RAY DIFFRACTION	99.66
5.53-6.33	0.2625	131	0.2349	10826	X-RAY DIFFRACTION	99.64
6.33-7.97	0.2144	157	0.2192	10773	X-RAY DIFFRACTION	99.35
7.97-49.18	0.1911	150	0.1936	10810	X-RAY DIFFRACTION	99.8

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	0.620332371463	0.201043246964	0.131754995001	0.476200188968	0.142821102542	0.46676011959	0.0570714251822	0.12447423749	-0.285834277117	-0.0760599586247	-0.0489691638003	-0.029197640303	0.112991677386	-0.0746900682205	-0.0126439561172	0.490723603054	0.00851569270764	-0.0814211300285	0.120192639024	-0.156182571739	0.292226657722	-35.946	-55.25	15.189
2	0.9390395042	0.189342074324	-0.257519026038	0.324003925093	-0.158878549105	0.377550396744	0.110895902702	-0.187603448777	-0.158728254635	0.0719962928447	-0.000376300649403	-0.13697813205	0.0802697415992	0.0584354640391	-0.0539496520302	0.491945817	-0.0222087397926	-0.0792729297945	0.0811563810499	-0.0825933248903	0.261945939994	-24.125	-47.44	31.673
3	1.25861224663	0.221869177996	-0.191335115455	0.27611309002	0.539030894171	1.42003413543	0.167059477865	-0.220615236502	-0.435522425873	-0.00841262438079	-0.100993611539	-0.169209562315	0.337555012862	0.176087409829	-0.0885977390657	0.429748676238	0.0546002026511	-0.130081526232	0.165172697572	0.0101057403171	0.430595864849	-9.912	-56.618	35.06
4	1.37003034435	0.041045521114	-0.078222419008	0.479049322684	0.216150902571	0.716573136126	0.0349670026272	-0.613254026447	-0.531293162794	0.15904848962	-0.0173557051459	-0.0977973042356	0.180985110651	0.0979919053494	-0.0201139125885	0.502645764035	-0.0638446483985	-0.0897781373242	0.413482535162	0.190319212007	0.357135979393	-43.465	-57.948	42.943
5	0.456595603816	-0.0428431512299	0.0354127864998	0.588357977001	0.307917651962	0.374906614123	0.130901655386	-0.0509299183018	-0.172924312763	0.0198920336147	-0.0260271748356	-0.0127219704115	0.0471053739117	-0.0634457715653	-0.0433168174699	0.474126921073	-0.0349670699159	-0.0448696471261	0.0511010372589	-0.0174512552621	0.247603677945	-55.268	-47.096	28.254
6	0.71293649831	-0.0158776749556	0.113402534958	0.359139856644	-0.577983913172	1.36503812428	0.0918759262139	-0.0454483480093	-0.210930456755	-0.0939902988192	-0.00643146739738	0.028500712125	0.0338479287181	-0.0906762301391	-0.0897323760618	0.377758857384	-0.0289261958212	-0.0580334461987	0.129166632742	-0.036084226762	0.308424294101	-69.512	-55.415	23.298
7	0.120751249379	-0.191896292467	0.297426149342	0.378157173352	-0.450055584798	0.677489770952	0.122009278476	0.506913240621	0.401175668351	-0.0668329992111	0.00754753033403	0.0677827548813	-0.0655787301955	-0.131640505843	0.0266996697017	0.515029574194	0.197871006795	0.145225072508	0.976518536143	0.513042980014	0.658734084573	-36.724	-4.146	-18.818
8	0.138578686709	-0.250407930551	0.1846591221	0.605007931165	-0.167365443619	0.434805410761	0.151779278937	0.630309943642	0.427750901466	-0.0562173832602	-0.015685447	-0.134690713243	-0.0931546112752	-0.141890689303	-0.0826277325553	0.472540914122	0.114655972668	0.0920920363763	0.593683034674	0.263337185427	0.364561333114	-24.956	-17.381	-6.229
9	1.23423073346	0.177382830155	-0.0118916027874	1.82251279206	-0.702402209372	1.33384715393	0.148207546243	0.687602484461	0.348926162811	-0.328516871918	0.0140266039262	-0.124415215519	0.0199093335158	0.0988492895057	-0.169951070014	0.43774414331	0.163649942021	0.121334442009	0.783277031086	0.19155825564	0.394162506707	-10.793	-23.653	-13.941
10	0.0408434017276	0.0975261540764	0.0915381535674	0.186737812066	0.202783641934	0.194263979679	0.0739083995533	-0.397107396899	0.235282304537	0.171630146424	0.0746178031146	-0.160035754919	-0.029085394824	0.226881105551	-0.019358433194	0.580653036676	-0.254203021455	0.106306413764	1.58630196862	-0.719800330028	0.731032133371	-42.862	-13.581	85.485
11	0.340387692754	0.260872847081	0.1981286128	0.202932670928	0.139355594117	0.398630694311	0.130289063208	-0.635132379908	0.341820968356	0.0582298460083	-0.0934806245371	0.0445267896574	-0.0288984379067	0.0122047786696	-0.0564894553586	0.507424878818	-0.223313033165	0.0567544062919	1.17219668157	-0.453558280154	0.411133695389	-54.578	-24.583	70.825
12	0.297483279496	-0.321899097579	-0.205037415622	0.890703057998	0.687455899213	1.0122077302	-0.0446890204064	-0.567250340772	0.174952784656	0.0758247123589	0.148944250963	0.0619697913192	0.0638390922939	-0.102020811997	-0.099382780753	0.526067164567	-0.273325194251	0.099464457807	1.64457878074	-0.272374486162	0.505569814309	-68.601	-32.255	77.358
13	2.67211870267	0.0510039701614	-0.528845525797	2.52888138681	0.35949261371	1.34439017338	-0.165772882832	0.406820115903	-0.00275650741124	-0.234442366232	0.168542034662	-0.212606967498	0.466873447533	-0.0277995666513	-0.00034257637894	0.539078103771	0.103147794992	0.042244621021	1.01462352491	-0.11643549652	0.290573785959	-38.711	-40.696	-18.702
14	0.619344838729	0.196326413212	0.113240042224	0.313272988214	-0.49312297842	1.13640201948	0.218860017087	0.647713584338	0.14069166091	-0.243994117849	-0.039383759112	0.0646484617686	0.104373135352	-0.0932663202681	-0.205138941315	0.467281607546	0.0701112979181	0.0201983922966	0.841363767798	0.0774763017508	0.287400072305	-46.548	-28.015	-10.09
15	0.430545233079	0.480082216357	-0.239900740403	0.54577283016	-0.318583977204	1.10708045882	0.101640495871	0.473245782531	0.3645903585	-0.0545470232588	0.0582653407288	0.230013232537	-0.0512645441282	-0.126523679316	-0.130354849126	0.453630664262	0.210161063525	0.0552451738873	0.83727484267	0.353650046683	0.446258373754	-56.058	-13.628	-6.606
16	0.287682852172	-0.23966693959	0.444553079445	1.29205265682	-0.101310657758	0.733596885293	0.0595960822048	0.307789541186	0.331442266574	-0.15155616753	0.0587627826158	0.186991651729	-0.143637947709	-0.261368620635	-0.0645380904203	0.500303067086	0.202097630613	0.0545028301847	1.19703270044	0.4586885952	0.559594219607	-70.426	-11.348	-16.04
17	0.695430977524	-0.063400230149	0.321654639916	0.612584747441	0.114850921069	0.423597995738	0.129717608214	-0.559228316653	-0.0870032508344	0.219264525989	0.245262074115	-0.0146885679389	0.134269615091	-0.191449715417	-0.286648726086	0.494010984358	-0.205603516561	-0.0164319161654	1.66453142806	-0.0621850550908	0.408395318838	-34.859	-39.175	74.471
18	0.302425938476	-0.0654947560124	0.22222622215	0.189792472145	0.173290281149	0.440478151524	0.0726684020286	-0.463180678978	0.195116396233	0.0493428528447	0.00577340899147	-0.0718244057543	-0.0140877552581	0.0297435628265	-0.108740364051	0.418733301357	-0.25554423312	0.04250900331	1.39651905803	-0.553746714766	0.566750370192	-23.452	-20.843	71.823
19	0.168188068569	0.0502066683349	0.139956638264	0.418504453267	0.21562726632	0.251645071895	0.0750436183921	-0.235972508477	0.224089190814	0.162817910139	-0.0418258137398	-0.100220743221	0.00649699432044	0.0385248738245	-0.0439166780864	0.581144319372	-0.227701662163	-0.0334300082411	1.7029404494	-0.542232438657	0.753083911563	-9.131	-19.995	81.481
20	0.265126992491	0.235610865422	0.0360624731529	0.313965703058	0.220989841347	0.321360024023	-0.108196855587	0.257701693183	0.541133360043	-0.192792605775	-0.0582288873737	0.143961694328	-0.169538334562	0.210592842359	0.105671048258	0.716767737161	0.102593432619	0.261703431525	1.05291296103	0.786394485683	2.09945365057	-44.846	29.561	-5.031
21	0.388262307671	-0.0315667377629	-0.0246690228829	0.0485294358172	0.0741001622906	0.111252409894	0.230950401866	0.264630034064	0.895643011564	-0.114285709251	0.0475251640024	-0.046283470213	-0.254396400102	-0.134443166821	-0.228423056757	0.5968691949	0.053138626434	0.327993921689	0.761654229628	0.277531394849	2.36916494162	-56.012	29.921	13.627
22	0.40775689798	0.170959851581	0.0696381538631	0.812658656968	0.677385095533	1.31087495773	0.0137153553721	-0.0117872901902	0.337831185916	-0.0218180522708	-0.0671568773435	0.533731744044	-0.362233550354	-0.361815063763	0.0660170422783	0.695745844118	0.181027896687	0.155584589973	0.856262742686	0.210192274512	1.87445662285	-70.293	39.788	13.033
23	0.0274832788351	0.0168421908048	0.0112065785214	0.182065610804	-0.0478871708096	0.0188286309369	0.00385491426825	-0.0983726800191	0.151997943515	0.0576595474524	0.0319209260234	-0.0546848848483	-0.0478896500606	0.0212806147746	-0.153364058647	0.651599616231	-0.197548850033	0.222464779551	1.47624234637	-1.00951921599	1.58112744265	-35.351	23.345	76.106
24	0.0682447861508	-0.0485674959335	0.0284890906226	0.110322461101	0.0171399357859	0.0309079130456	0.0193787021405	-0.216938648428	0.262263142745	0.00848138866742	0.026176518639	-0.132148021337	-0.0553112638021	0.0418709988494	-0.0927536102066	0.65344364489	-0.2250722579	0.361298067831	1.18452988759	-0.938897427236	1.81230879097	-24.206	26.615	57.839
25	0.981842576075	0.18030977398	0.103824780213	0.0334761203844	0.010730250948	0.0554331765851	-0.0252827934258	-0.0194608184828	0.564357220525	-0.019061720093	0.059228852434	-0.177918085723	-0.0903468987445	0.00595754126391	-0.010372869799	0.776622994229	-0.23314893968	0.350919848177	1.36777265428	-0.959397065104	2.19311185958	-10.195	36.538	59.716
26	0.0247580485633	0.0393176150711	-0.0144702911734	0.048773348847	-0.0134483349477	-4.28244396332E-5	-0.0182550187674	-0.281538219223	0.616329011807	-0.03910989626	0.06565682815	-0.440523442295	-0.124665181479	0.0828836537219	-0.14782820894	0.815579138267	-0.174559023053	0.435822865608	1.15526078082	-0.866773027375	2.34330702066	-43.965	41.303	55.194
27	0.0305980172139	-0.0190396977827	0.0180426404412	0.0714654130635	0.0446057492406	0.0622380979863	0.0967591935669	-0.120847364698	0.38475477356	-0.0344001255921	0.00430515575335	-0.042534985313	-0.099995603455	0.0379344628913	0.00831228631394	0.589587765394	-0.184306515907	0.285051436957	1.18793440609	-0.93214599258	1.6378959922	-55.17	23.688	61.498
28	0.419250037907	-0.339699190698	-0.157479348146	0.380260364671	0.012896421823	0.184658396681	0.0718289780798	-0.027702001812	0.128601005822	0.075378440835	-0.0222327878697	0.0471896168404	-0.084773248487	-0.0590635486236	-0.0383734884244	0.695521206561	-0.13484977724	0.296187444598	1.30218091737	-0.873728507519	1.71520173721	-69.195	27.361	70.916
29	0.575142749873	-0.000841434297821	0.296233390767	-0.000762028427606	0.000895002379976	0.160765564542	-0.0442132136226	-0.172732060458	0.914967132491	-0.000134696959337	-0.040185544382	0.146374047952	-0.170140413046	-0.0965493968213	0.0526442355807	0.727119308068	-0.0223548187902	0.383911986856	0.791215651221	0.0940924776973	2.63452881957	-36.484	44.32	18.37
30	0.331865151849	-0.255653641918	-0.149301736268	0.244538377821	0.0450500068689	0.163321514995	0.16596872727	0.0088199317854	0.912755731857	0.00692683892665	0.0629313850483	0.119653417556	-0.236601702981	-0.0573480042213	-0.175036917389	0.607963990457	-0.0151788140924	0.305363610819	0.682075070383	0.348475884455	2.23232703118	-25.052	28.028	9.808
31	0.447907302935	0.312759087993	0.0323547844731	0.236611908469	0.107899954721	0.36457486786	0.0459812452	-0.0806742655995	0.537685829515	-0.0294810234492	-0.0807327823098	0.104185490539	-0.224370680636	0.312968733283	0.0178343361153	0.741588192499	-0.0947318070333	0.350650776006	1.00535689431	0.366532193055	2.36559008704	-10.962	33.103	1.009

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	( CHAIN A AND RESID 1:160 )	A	1 - 160
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 161:361 )	A	161 - 361
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 362:457 )	A	362 - 457
4	X-RAY DIFFRACTION	4	( CHAIN B AND RESID 1:160 )	B	1 - 160
5	X-RAY DIFFRACTION	5	( CHAIN B AND RESID 161:361 )	B	161 - 361
6	X-RAY DIFFRACTION	6	( CHAIN B AND RESID 362:457 )	B	362 - 457
7	X-RAY DIFFRACTION	7	( CHAIN C AND RESID 1:160 )	C	1 - 160
8	X-RAY DIFFRACTION	8	( CHAIN C AND RESID 161:361 )	C	161 - 361
9	X-RAY DIFFRACTION	9	( CHAIN C AND RESID 362:457 )	C	362 - 457
10	X-RAY DIFFRACTION	10	( CHAIN D AND RESID 1:160 )	D	1 - 160
11	X-RAY DIFFRACTION	11	( CHAIN D AND RESID 161:361 )	D	161 - 361
12	X-RAY DIFFRACTION	12	( CHAIN D AND RESID 362:457 )	D	362 - 457
13	X-RAY DIFFRACTION	13	( CHAIN E AND RESID 1:40 )	E	1 - 40
14	X-RAY DIFFRACTION	14	( CHAIN E AND RESID 41:160 )	E	41 - 160
15	X-RAY DIFFRACTION	15	( CHAIN E AND RESID 161:361 )	E	161 - 361
16	X-RAY DIFFRACTION	16	( CHAIN E AND RESID 362:457 )	E	362 - 457
17	X-RAY DIFFRACTION	17	( CHAIN F AND RESID 1:160 )	F	1 - 160
18	X-RAY DIFFRACTION	18	( CHAIN F AND RESID 161:361 )	F	161 - 361
19	X-RAY DIFFRACTION	19	( CHAIN F AND RESID 362:457 )	F	362 - 457
20	X-RAY DIFFRACTION	20	( CHAIN G AND RESID 1:160 )	G	1 - 160
21	X-RAY DIFFRACTION	21	( CHAIN G AND RESID 161:361 )	G	161 - 361
22	X-RAY DIFFRACTION	22	( CHAIN G AND RESID 362:457 )	G	362 - 457
23	X-RAY DIFFRACTION	23	( CHAIN H AND RESID 1:160 )	H	1 - 160
24	X-RAY DIFFRACTION	24	( CHAIN H AND RESID 161:361 )	H	161 - 361
25	X-RAY DIFFRACTION	25	( CHAIN H AND RESID 362:457 )	H	362 - 457
26	X-RAY DIFFRACTION	26	( CHAIN I AND RESID 1:160 )	I	1 - 160
27	X-RAY DIFFRACTION	27	( CHAIN I AND RESID 161:361 )	I	161 - 361
28	X-RAY DIFFRACTION	28	( CHAIN I AND RESID 362:457 )	I	362 - 457
29	X-RAY DIFFRACTION	29	( CHAIN J AND RESID 1:160 )	J	1 - 160
30	X-RAY DIFFRACTION	30	( CHAIN J AND RESID 161:361 )	J	161 - 361
31	X-RAY DIFFRACTION	31	( CHAIN J AND RESID 362:457 )	J	362 - 457

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