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- PDB-9unz: Crystal structure of the V165A/S219E/A225P mutant of alanine dehy... -

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Open data

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Basic information

Entry

Database: PDB / ID: 9unz

Title

Crystal structure of the V165A/S219E/A225P mutant of alanine dehyrogenase from Geobacillus stearothermophilus in complex with nicotinamide cytosine dinucleotide

Components

Alanine dehydrogenase

Keywords

OXIDOREDUCTASE / Non-natural cofactor / amino acid dehydrogenation

Function / homology

Function and homology information

alanine dehydrogenase / L-alanine dehydrogenase (NAD+) activity / L-alanine catabolic process / nucleotide binding / plasma membrane
Similarity search - Function

Biological species

Geobacillus stearothermophilus (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.56 Å

Authors

Hu, Y. / Guo, X. / Wang, X. / Zhao, Z.

Funding support

China, 1items

Citation

Journal: To Be Published
Title: Non-natural cofactor and formate-driven L-Alanine production
Authors: Hu, Y. / Guo, X. / Wang, X. / Zhao, Z.

History

Deposition	Apr 24, 2025	Deposition site: PDBJ / Processing site: PDBC
Revision 1.0	Apr 29, 2026	Provider: repository / Type: Initial release
Revision 1.1	Jun 3, 2026	Group: Data collection / Category: reflns / reflns_shell Item: _reflns.number_obs / _reflns.pdbx_Rmerge_I_obs / _reflns_shell.Rmerge_I_obs

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	9unz.cif.gz	1.9 MB	Display	PDBx/mmCIF format
PDB format	pdb9unz.ent.gz		Display	PDB format
PDBx/mmJSON format	9unz.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/un/9unz ftp://data.pdbj.org/pub/pdb/validation_reports/un/9unz	HTTPS FTP

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Related structure data

Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI

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Assembly

Deposited unit

A: Alanine dehydrogenase

B: Alanine dehydrogenase

C: Alanine dehydrogenase

D: Alanine dehydrogenase

E: Alanine dehydrogenase

F: Alanine dehydrogenase

G: Alanine dehydrogenase

H: Alanine dehydrogenase

I: Alanine dehydrogenase

J: Alanine dehydrogenase

K: Alanine dehydrogenase

L: Alanine dehydrogenase

hetero molecules

481 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Alanine dehydrogenase

B: Alanine dehydrogenase

C: Alanine dehydrogenase

D: Alanine dehydrogenase

E: Alanine dehydrogenase

F: Alanine dehydrogenase

G: Alanine dehydrogenase

H: Alanine dehydrogenase

I: Alanine dehydrogenase

J: Alanine dehydrogenase

K: Alanine dehydrogenase

L: Alanine dehydrogenase

hetero molecules

A: Alanine dehydrogenase

B: Alanine dehydrogenase

C: Alanine dehydrogenase

D: Alanine dehydrogenase

E: Alanine dehydrogenase

F: Alanine dehydrogenase

G: Alanine dehydrogenase

H: Alanine dehydrogenase

I: Alanine dehydrogenase

J: Alanine dehydrogenase

K: Alanine dehydrogenase

L: Alanine dehydrogenase

hetero molecules

A: Alanine dehydrogenase

B: Alanine dehydrogenase

C: Alanine dehydrogenase

D: Alanine dehydrogenase

E: Alanine dehydrogenase

F: Alanine dehydrogenase

G: Alanine dehydrogenase

H: Alanine dehydrogenase

I: Alanine dehydrogenase

J: Alanine dehydrogenase

K: Alanine dehydrogenase

L: Alanine dehydrogenase

hetero molecules

A: Alanine dehydrogenase

B: Alanine dehydrogenase

C: Alanine dehydrogenase

D: Alanine dehydrogenase

E: Alanine dehydrogenase

F: Alanine dehydrogenase

G: Alanine dehydrogenase

H: Alanine dehydrogenase

I: Alanine dehydrogenase

J: Alanine dehydrogenase

K: Alanine dehydrogenase

L: Alanine dehydrogenase

hetero molecules

defined by author&software
1.92 MDa, 48 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	89.441, 155.752, 178.091
Angle α, β, γ (deg.)	90.000, 98.245, 90.000
Int Tables number	4
Space group name H-M	P12₁1
Space group name Hall	P2yb

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Components

#1: Protein	Alanine dehydrogenase / AlaDH Mass: 39451.141 Da / Num. of mol.: 12 / Mutation: A225P, V165A, S219E Source method: isolated from a genetically manipulated source Source: (gene. exp.) Geobacillus stearothermophilus (bacteria) Gene: alaD / Production host: Escherichia coli (E. coli) / References: UniProt: A8QVZ6, alanine dehydrogenase
#2: Chemical	ChemComp-A1EP0 / [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate Mass: 640.408 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₂₀H₂₈N₅O₁₅P₂ / Feature type: SUBJECT OF INVESTIGATION
#3: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 689 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	N

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.59 Å³/Da / Density % sol: 52.57 %
Crystal grow	Temperature: 291 K / Method: vapor diffusion, hanging drop Details: Index H10: 0.2 M tri-Sodium Citrate dihydrate,20% w/v Polyethylene Glycol 3350

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: SSRF / Beamline: BL10U2 / Wavelength: 0.97918 Å
Detector	Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Sep 11, 2024
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97918 Å / Relative weight: 1
Reflection	Resolution: 2.56→46.72 Å / Num. obs: 152484 / % possible obs: 97.7 % / Redundancy: 5.3 % / CC_1/2: 0.993 / CC star: 0.998 / R_merge(I) obs: 0.147 / Net I/σ(I): 10.74
Reflection shell	Resolution: 2.56→2.651 Å / Redundancy: 5.5 % / R_merge(I) obs: 0.957 / Num. unique obs: 15160 / CC_1/2: 0.993 / CC star: 0.948 / % possible all: 97.81

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Processing

Software

Name	Version	Classification
PHENIX	1.15.1_3469	refinement
XDS		data reduction
Aimless		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.56→46 Å / SU ML: 0.3408 / Cross valid method: THROUGHOUT / σ(F): 1.33 / Phase error: 25.2814
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2443	7567	4.99 %	RANDOM
R_work	0.1932	143967	-	-
obs	0.1958	151534	97.72 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 41.97 Å²

Refinement step

Cycle: LAST / Resolution: 2.56→46 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	33180	0	504	689	34373

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0025	34308
X-RAY DIFFRACTION	f_angle_d	0.5114	46764
X-RAY DIFFRACTION	f_chiral_restr	0.0446	5604
X-RAY DIFFRACTION	f_plane_restr	0.004	5976
X-RAY DIFFRACTION	f_dihedral_angle_d	9.8656	20664

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 (%)
2.56-2.59	0.363	263	0.2901	4711	X-RAY DIFFRACTION	98.09
2.59-2.62	0.3606	216	0.2733	4875	X-RAY DIFFRACTION	97.7
2.62-2.65	0.3007	237	0.2592	4772	X-RAY DIFFRACTION	97.68
2.65-2.69	0.312	252	0.2467	4802	X-RAY DIFFRACTION	98.35
2.69-2.72	0.2949	263	0.2465	4852	X-RAY DIFFRACTION	98.61
2.72-2.76	0.3055	241	0.249	4811	X-RAY DIFFRACTION	98.63
2.76-2.8	0.3037	231	0.2391	4869	X-RAY DIFFRACTION	98.53
2.8-2.84	0.2728	253	0.2397	4818	X-RAY DIFFRACTION	98.62
2.84-2.88	0.2867	269	0.2326	4829	X-RAY DIFFRACTION	98.42
2.88-2.93	0.297	250	0.2351	4811	X-RAY DIFFRACTION	98.73
2.93-2.98	0.2967	284	0.2292	4830	X-RAY DIFFRACTION	98.65
2.98-3.04	0.3127	225	0.2285	4813	X-RAY DIFFRACTION	98.34
3.04-3.09	0.3151	258	0.2302	4800	X-RAY DIFFRACTION	98.21
3.09-3.16	0.2802	263	0.2206	4845	X-RAY DIFFRACTION	98.8
3.16-3.23	0.2649	275	0.2247	4786	X-RAY DIFFRACTION	98.52
3.23-3.3	0.2907	260	0.2241	4851	X-RAY DIFFRACTION	98.27
3.3-3.38	0.297	253	0.223	4799	X-RAY DIFFRACTION	98
3.38-3.47	0.2804	243	0.2142	4751	X-RAY DIFFRACTION	96.52
3.47-3.58	0.2504	248	0.2123	4682	X-RAY DIFFRACTION	95.49
3.58-3.69	0.2421	246	0.2041	4686	X-RAY DIFFRACTION	95.58
3.69-3.82	0.226	256	0.1898	4704	X-RAY DIFFRACTION	96.22
3.82-3.98	0.2329	251	0.1772	4835	X-RAY DIFFRACTION	98.45
3.98-4.16	0.2182	244	0.1609	4836	X-RAY DIFFRACTION	98.32
4.16-4.38	0.1903	249	0.1503	4859	X-RAY DIFFRACTION	98.33
4.38-4.65	0.1907	260	0.1404	4827	X-RAY DIFFRACTION	98.41
4.65-5.01	0.1922	286	0.1437	4829	X-RAY DIFFRACTION	98.33
5.01-5.51	0.2181	258	0.1655	4826	X-RAY DIFFRACTION	98.01
5.51-6.31	0.2095	248	0.1718	4837	X-RAY DIFFRACTION	98
6.31-7.94	0.1827	262	0.1534	4833	X-RAY DIFFRACTION	97.42
7.94-46	0.1695	223	0.1334	4588	X-RAY DIFFRACTION	90.6

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	1.16203859844	-1.52733961952	-0.570617904433	2.07938257075	0.677145752154	1.20753748763	-0.748919218445	-0.655094970287	0.643134698846	1.68434472042	0.653489880978	-0.114787153791	-0.786300449424	-0.408762795094	-0.258035664303	1.62218806569	0.64026446691	-0.125002016394	0.382631208485	-0.464688830394	0.460142740851	-12.5298059964	49.0281753138	38.7860890162
2	0.376263518651	-0.516290724068	-0.127811899744	0.735324138968	0.26961008519	1.06762748437	-0.496444420871	-0.376280835553	0.512361748989	1.00374081155	0.293371300292	-0.434417085004	-0.733798634488	-0.122921783672	-0.109768637781	1.6798853642	0.366559384497	-0.419627662483	0.636416093348	-0.360750762627	0.374237380657	-1.14346101455	38.957427962	45.6155202847
3	1.9631253459	-0.306202622461	-0.127019082473	1.91927788402	-0.999826275519	1.99041826245	-0.133195379178	-0.113696041919	0.0967832144452	0.104921694061	0.0913255502656	-0.203942297186	-0.118896768407	0.0674039489906	0.0400837761783	0.184231630237	-0.0158211518848	-0.0596829176757	0.225219784112	-0.0296059377046	0.238926075946	-2.03713559329	21.2350247879	20.7429454805
4	1.50752490234	-0.520642645311	0.557276363567	1.85818687142	0.0824407018498	2.47328839411	-0.606946586923	-0.561045775438	0.495902265044	1.33294377992	0.454786926501	-0.547971484527	-0.217063680406	-0.253925540882	0.085499058773	0.890072607993	0.237723522358	-0.16292664219	0.419115912106	-0.136116631748	0.34857676944	-3.10516491573	32.7653430767	38.2757403392
5	0.586475061962	0.425719806662	0.326360554269	0.679945858716	0.219934425355	1.35434268843	-0.102934894303	0.205196278026	-0.153063451003	-0.233294348253	-0.001014471082	0.152234337854	0.993593832679	0.122399110696	-0.139145726276	0.956594841822	0.341660063493	0.0202090894303	0.344073705509	0.0787769213884	0.414591097221	-56.7161029094	49.0677510097	53.6092543267
6	0.404936264931	0.089410687741	0.386098407422	1.02047181038	0.587068767158	1.53481098759	0.261160376365	0.100876035465	-0.0666377219532	-0.333066303481	-0.190890327045	-0.0446842796041	0.78834070967	0.588551313139	-0.0365307199028	0.865267247211	0.414008247501	0.0537381445131	0.426083229618	0.00450392366274	0.397514535873	-49.3254839747	55.7256786252	53.4120964082
7	0.683844503528	0.0809205424645	0.0581610051869	0.773947168588	-0.503038180815	2.1479435204	0.0387064990211	0.0364257033841	-0.0510965867433	-0.0189872361856	-0.115568864154	-0.0790771492611	0.0931805026137	0.348565673902	0.0763706101256	0.295707790466	0.0879664047999	0.0398322733034	0.334511031555	0.0823612391055	0.332622728257	-48.2560632539	76.2565168809	76.3218227962
8	0.0434605685317	-0.0949794928707	-0.0766746061862	0.126705513046	0.0112226123325	2.13387404923	-0.269079436801	0.0627486333052	-0.32402074334	-0.0313371341635	-0.152875199812	-0.254043081148	0.0758602032592	0.595379198493	0.153794935668	0.439338895928	0.254888050618	0.139808011791	0.534995018322	0.0481193309263	0.534163792855	-39.4665299769	67.4779913133	70.4275613751
9	1.56120728753	-0.0959040445526	1.23042493332	1.24681082881	-0.167972442254	1.56807157792	-0.0894877386946	-0.14507073539	-0.394416454751	-0.00722721791723	0.0184441317808	0.0448201199507	0.313641599067	0.206012722649	0.0722755151343	0.517250446932	0.217916122955	0.154410134924	0.376274357328	0.101542895514	0.431281742688	-46.9370640574	59.5659420968	71.7745533175
10	1.54264997921	0.293551300074	0.112585840063	2.27042851817	1.3637659723	0.825036859677	0.237227340075	0.269903846708	0.182306680724	0.0111755992353	-0.40415041907	0.165843208023	0.39001590514	0.0111888339824	0.0657535355004	0.7021383932	0.187389880072	-0.0347778527933	0.357366687689	0.0292991864099	0.391094774935	-60.9230105587	60.3917056573	50.3362244713
11	5.37800932001	2.15342284342	0.546304207711	0.939126132294	-0.116168175344	1.52144774069	-0.150661469388	0.221206593648	0.281189363297	-0.277970785878	0.166316742807	0.414707650614	-0.0522057140667	-0.1318338973	-0.0718905423945	0.997025732045	0.2389422378	-0.0812593015871	0.328749600222	0.0476596714203	0.314473370188	-58.7426524345	58.3463589842	39.7673157035
12	5.73018217902	-0.14847831434	3.51585258101	4.63572468593	-1.74127978621	3.10303358349	0.209934406305	0.426519101599	-0.171685222516	-0.210375329368	0.131805911688	-0.152743352695	0.279326528587	0.411615713074	-0.0747926785591	0.922290476746	0.310996041494	-0.0676046327417	0.739121066082	0.165281462247	0.389262358279	-52.7887357052	62.5995582012	38.0789757008
13	2.50530257285	-0.764078065642	-2.80537851619	5.5866893945	-0.0755941947789	3.29960354011	-0.0921451392487	0.0438511247754	0.145762456368	0.0278522086196	0.136478825819	0.428956821581	0.301752619049	-0.00646105905526	-0.0264337901537	0.588379225261	0.14082313995	-0.010564987761	0.5736692693	0.192552817774	0.47465101569	-53.6095659116	68.6079184314	43.2018897751
14	8.72847775066	0.25276800746	1.95422720422	5.98311278923	-2.06513466131	1.60425385059	-0.141856034166	1.03060712191	-0.68535546457	-0.741883738626	-0.0369144080817	-0.28183120354	0.683299738452	0.41378961504	0.113087992132	0.835898411615	0.388714455104	0.150782780575	0.79016050531	0.0272083701766	0.420909378671	-41.7009847604	62.8991560229	42.2842470281
15	1.79116488214	-0.582844785545	0.0407465050011	0.190012463547	-0.0122869768751	0.00159598540557	-0.0618144095857	0.259607476471	0.301297974965	-0.818673207699	0.235838469763	-0.432115811067	-0.0154960507847	0.127291446558	-0.0737632061588	0.688454325825	0.0773905309173	0.0974446015901	0.725624717416	0.213384359964	0.49142443773	-38.9980547802	69.7702214944	47.416093311
16	1.27407857239	-0.859776039105	-0.346968930031	2.58075885697	-2.66691804961	4.34544313736	0.00055666598366	0.145899819145	0.167164052877	0.231952650391	-0.171923167748	-0.211686793203	0.00257204585027	0.331382718032	0.155611882552	0.750035490558	0.166053369867	-0.0360415527946	0.95663135812	-0.0491275236077	0.461896727276	-33.6617787862	69.5069239999	47.4090433629
17	1.64408847319	-0.52039035095	0.296511865986	0.747539661662	-0.632357430567	0.69516930922	0.160656660467	0.542020717518	0.106793078886	-0.471620506053	0.295021311677	0.0870108956974	-0.399410403093	0.372392924479	-0.221095970533	0.896014415673	-0.0695305975651	-0.0277900350677	0.94045276155	0.0493704540178	0.663236025081	-44.598029304	69.7140573342	36.1940845887
18	0.884284273837	0.203656560604	-0.277774310144	1.47709089721	-0.744535267346	1.54124997275	0.0305560227884	0.0175731357657	-0.0210106554044	-0.0534107966338	-0.0361457553235	0.501721625809	0.252421729462	-0.58031173055	-0.0222263503951	0.296489297434	-0.123073116324	-0.00462478770601	0.352394392601	-0.0697634230958	0.460102772873	-71.6105191573	-12.7712596842	65.7668043804
19	0.421987056956	0.0925926379108	0.296470692065	0.606850181924	-0.020319451626	1.70498643338	-0.0454593666407	0.0429962556932	0.0203910857465	-0.0187188478053	-0.0399541147422	0.100069404944	0.488713319191	-0.0546314170838	0.0901506835365	0.370896853394	-0.112144873926	0.0459143291812	0.221236816968	-0.0385515006005	0.27811621113	-57.1181977817	-19.8430521228	73.576009673
20	0.733723700342	-0.0871450694023	-0.0327945305025	0.646744761896	0.535822555212	1.26055699531	-0.0747510205906	-0.0684364177793	-0.126454658609	0.102420400769	-0.0343529223762	-0.101706378413	0.366371322575	0.0453458053111	0.0845177452232	0.423112594345	-0.0307703369836	0.0310258019141	0.171396298831	0.0431680050732	0.310854317296	-42.8324056483	-18.9148447797	89.3753772191
21	1.11748299223	-0.00711071284577	0.125406660332	0.884178838425	-0.812304860803	1.64983694222	0.0966952485966	0.139453198038	-0.20900862307	0.0556348006316	-0.173349306903	0.0843314412237	0.554340639248	-0.366704760012	0.0180818177924	0.426230462877	-0.164731963782	0.00659630143179	0.248487379009	-0.0746437289586	0.347734324167	-57.7815043253	-21.9537226885	81.5254960338
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57	1.31071624979	-0.113137841076	-0.640865030229	0.637277056387	0.2357103538	1.10988085745	0.0574906182002	0.0986115120598	0.0531553160468	-0.029264600384	-0.0777392312575	0.178670810248	-0.178863359769	-0.266536983012	0.0166640985162	0.300257891845	0.0157751264087	-0.0187336246345	0.232516398443	-0.0522594335163	0.26969550849	-37.8396389522	24.2677750203	-67.9013669907
58	2.9775613576	-0.736072878074	1.04985389364	2.73283702049	-0.125666089468	2.15979486637	0.163466649616	-0.518863899664	0.345336051157	0.01643213208	-0.240379506816	0.150349487271	-0.201519875336	-0.188896510554	0.067883731393	0.375367146224	-0.0146221112801	0.0418561094036	0.23724763714	-0.0960048907154	0.317980686265	-17.8325396133	32.981831183	-69.6679189107
59	0.672971907638	0.108919425605	-0.313876240334	0.684480229149	0.481433843664	2.22960645804	-0.0125370896744	-0.132440532674	-0.00149146879873	0.107895494009	-0.13626817089	0.0618033556401	0.0447034372949	-0.15998936686	0.16273451806	0.275471017682	-0.0204019393702	0.0331178996942	0.287343530729	-0.0658304840709	0.254632351602	-45.1104335532	23.2112683144	-53.6040377824
60	1.00154002783	0.262492844024	0.858317686768	0.90226588541	0.45863575817	1.94845444898	-0.0421897164629	0.0578598679412	-0.11013241055	-0.236623615078	-0.00841238559695	0.0252261838922	0.199582861324	-0.039082318449	0.0506900843765	0.273169092231	-0.0419594861197	0.040827590887	0.271592081382	-0.0330612810668	0.216021908596	-19.0360867471	-6.94352387726	-10.5820268355
61	2.08540997144	-0.716002930114	-1.48505370022	4.47189959783	-1.24177664666	3.26829728507	-0.0979905339175	0.535149191775	-0.250018244747	-0.271128504902	-0.0987065088582	-0.119546323391	0.149890627045	0.326767323951	0.142534613343	0.184503098007	-0.0110696921634	0.0452662116911	0.424590645027	-0.0248861532575	0.35325656781	2.37179372039	-0.220440006889	-4.85556994579
62	1.00117751477	0.52206888777	1.00410137838	1.16290707472	0.838232481844	0.923491321358	-0.221793995525	0.504057999318	-0.139711097338	-0.415012216832	0.0727968705646	0.00284891822136	-0.217694031423	0.269353053199	0.12036261594	0.35065542415	-0.067052543938	0.0627836611395	0.456144371837	-0.0166362416768	0.199192316855	-17.5616306476	-7.02146546462	-20.2796174413

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 80 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 81 through 120 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 121 through 260 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 261 through 371 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 1 through 40 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 41 through 140 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 141 through 260 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 261 through 280 )
9	X-RAY DIFFRACTION	9	chain 'B' and (resid 281 through 313 )
10	X-RAY DIFFRACTION	10	chain 'B' and (resid 314 through 323 )
11	X-RAY DIFFRACTION	11	chain 'B' and (resid 324 through 328 )
12	X-RAY DIFFRACTION	12	chain 'B' and (resid 329 through 333 )
13	X-RAY DIFFRACTION	13	chain 'B' and (resid 334 through 343 )
14	X-RAY DIFFRACTION	14	chain 'B' and (resid 344 through 348 )
15	X-RAY DIFFRACTION	15	chain 'B' and (resid 349 through 358 )
16	X-RAY DIFFRACTION	16	chain 'B' and (resid 359 through 363 )
17	X-RAY DIFFRACTION	17	chain 'B' and (resid 364 through 371 )
18	X-RAY DIFFRACTION	18	chain 'C' and (resid 1 through 80 )
19	X-RAY DIFFRACTION	19	chain 'C' and (resid 81 through 160 )
20	X-RAY DIFFRACTION	20	chain 'C' and (resid 161 through 260 )
21	X-RAY DIFFRACTION	21	chain 'C' and (resid 261 through 320 )
22	X-RAY DIFFRACTION	22	chain 'C' and (resid 321 through 371 )
23	X-RAY DIFFRACTION	23	chain 'D' and (resid 1 through 80 )
24	X-RAY DIFFRACTION	24	chain 'D' and (resid 81 through 140 )
25	X-RAY DIFFRACTION	25	chain 'D' and (resid 141 through 240 )
26	X-RAY DIFFRACTION	26	chain 'D' and (resid 241 through 300 )
27	X-RAY DIFFRACTION	27	chain 'D' and (resid 301 through 326 )
28	X-RAY DIFFRACTION	28	chain 'D' and (resid 327 through 331 )
29	X-RAY DIFFRACTION	29	chain 'D' and (resid 332 through 336 )
30	X-RAY DIFFRACTION	30	chain 'D' and (resid 337 through 346 )
31	X-RAY DIFFRACTION	31	chain 'D' and (resid 347 through 351 )
32	X-RAY DIFFRACTION	32	chain 'D' and (resid 352 through 356 )
33	X-RAY DIFFRACTION	33	chain 'D' and (resid 357 through 366 )
34	X-RAY DIFFRACTION	34	chain 'D' and (resid 367 through 371 )
35	X-RAY DIFFRACTION	35	chain 'E' and (resid 1 through 200 )
36	X-RAY DIFFRACTION	36	chain 'E' and (resid 201 through 280 )
37	X-RAY DIFFRACTION	37	chain 'E' and (resid 281 through 300 )
38	X-RAY DIFFRACTION	38	chain 'E' and (resid 301 through 371 )
39	X-RAY DIFFRACTION	39	chain 'F' and (resid 1 through 120 )
40	X-RAY DIFFRACTION	40	chain 'F' and (resid 121 through 220 )
41	X-RAY DIFFRACTION	41	chain 'F' and (resid 221 through 260 )
42	X-RAY DIFFRACTION	42	chain 'F' and (resid 261 through 300 )
43	X-RAY DIFFRACTION	43	chain 'F' and (resid 301 through 371 )
44	X-RAY DIFFRACTION	44	chain 'G' and (resid 1 through 220 )
45	X-RAY DIFFRACTION	45	chain 'G' and (resid 221 through 300 )
46	X-RAY DIFFRACTION	46	chain 'G' and (resid 301 through 371 )
47	X-RAY DIFFRACTION	47	chain 'H' and (resid 1 through 220 )
48	X-RAY DIFFRACTION	48	chain 'H' and (resid 221 through 280 )
49	X-RAY DIFFRACTION	49	chain 'H' and (resid 281 through 300 )
50	X-RAY DIFFRACTION	50	chain 'H' and (resid 301 through 371 )
51	X-RAY DIFFRACTION	51	chain 'I' and (resid 1 through 220 )
52	X-RAY DIFFRACTION	52	chain 'I' and (resid 221 through 280 )
53	X-RAY DIFFRACTION	53	chain 'I' and (resid 281 through 371 )
54	X-RAY DIFFRACTION	54	chain 'J' and (resid 1 through 220 )
55	X-RAY DIFFRACTION	55	chain 'J' and (resid 221 through 300 )
56	X-RAY DIFFRACTION	56	chain 'J' and (resid 301 through 371 )
57	X-RAY DIFFRACTION	57	chain 'K' and (resid 1 through 220 )
58	X-RAY DIFFRACTION	58	chain 'K' and (resid 221 through 300 )
59	X-RAY DIFFRACTION	59	chain 'K' and (resid 301 through 371 )
60	X-RAY DIFFRACTION	60	chain 'L' and (resid 1 through 220 )
61	X-RAY DIFFRACTION	61	chain 'L' and (resid 221 through 280 )
62	X-RAY DIFFRACTION	62	chain 'L' and (resid 281 through 371 )

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