PDB-5eom: Structure of full-length human MAB21L1 with bound CTP

Basic information

• Entry: Database: PDB / ID: 5eom
• Title: Structure of full-length human MAB21L1 with bound CTP
• Components: Protein mab-21-like 1
• Keywords: TRANSFERASE / Nucleotidyltransferase fold protein

Function / homology

Function:

eye development / camera-type eye development / anatomical structure morphogenesis / nucleotidyltransferase activity / Transferases; Transferring phosphorus-containing groups; Nucleotidyltransferases / cell population proliferation / positive regulation of cell population proliferation / GTP binding / ATP binding / nucleus / metal ion binding

Domain/homology:

Mab-21-like, nucleotidyltransferase domain / Mab-21-like, HhH/H2TH-like domain / Mab-21 protein HhH/H2TH-like domain / Mab-21 protein nucleotidyltransferase domain / Mab-21-like / Mab-21

Component:

CITRIC ACID / CYTIDINE-5'-TRIPHOSPHATE / trimethylamine oxide / Putative nucleotidyltransferase MAB21L1

• Biological species: Homo sapiens (human)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.55 Å
• Authors: de Oliveira Mann, C.C. / Witte, G. / Hopfner, K.-P.

Funding support

Germany, 1items

Organization	Grant number	Country
German Research Foundation	GRK1721	Germany

• Citation: Journal: Sci Rep / Year: 2016; Title: Structural and biochemical characterization of the cell fate determining nucleotidyltransferase fold protein MAB21L1.; Authors: de Oliveira Mann, C.C. / Kiefersauer, R. / Witte, G. / Hopfner, K.P.

History

Deposition	Nov 10, 2015	Deposition site: RCSB / Processing site: PDBE
Revision 1.0	Jun 1, 2016	Provider: repository / Type: Initial release
Revision 1.1	Jun 22, 2016	Group: Database references
Revision 1.2	May 1, 2024	Group: Author supporting evidence / Data collection / Database references / Refinement description Category: chem_comp_atom / chem_comp_bond / database_2 / pdbx_audit_support / pdbx_initial_refinement_model Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_audit_support.funding_organization

Assembly

Deposited unit

A: Protein mab-21-like 1

B: Protein mab-21-like 1

D: Protein mab-21-like 1

E: Protein mab-21-like 1

F: Protein mab-21-like 1

G: Protein mab-21-like 1

H: Protein mab-21-like 1

I: Protein mab-21-like 1

J: Protein mab-21-like 1

C: Protein mab-21-like 1

hetero molecules

Summary:

• 420 kDa, 10 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	419,649	34
Polymers	412,596	10
Non-polymers	7,053	24
Water	4,720	262

1

A: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 42 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	42,010	4
Polymers	41,260	1
Non-polymers	750	3
Water	18	1

Symmetry operations:

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

2

B: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 41.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	41,935	3
Polymers	41,260	1
Non-polymers	675	2
Water	18	1

Symmetry operations:

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

3

D: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 41.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	41,935	3
Polymers	41,260	1
Non-polymers	675	2
Water	18	1

Symmetry operations:

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

4

E: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 41.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	41,935	3
Polymers	41,260	1
Non-polymers	675	2
Water	18	1

Symmetry operations:

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

5

F: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 42 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	42,010	4
Polymers	41,260	1
Non-polymers	750	3
Water	18	1

Symmetry operations:

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

6

G: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 41.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	41,935	3
Polymers	41,260	1
Non-polymers	675	2
Water	18	1

Symmetry operations:

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

7

H: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 42.1 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	42,127	4
Polymers	41,260	1
Non-polymers	867	3
Water	18	1

Symmetry operations:

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

8

I: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 41.9 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	41,935	3
Polymers	41,260	1
Non-polymers	675	2
Water	18	1

Symmetry operations:

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

9

J: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 41.7 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	41,743	2
Polymers	41,260	1
Non-polymers	483	1
Water	18	1

Symmetry operations:

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

10

C: Protein mab-21-like 1

hetero molecules

Summary:

• defined by author
• 42.1 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	42,085	5
Polymers	41,260	1
Non-polymers	826	4
Water	18	1

Symmetry operations:

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

Unit cell

Length a, b, c (Å)	115.000, 177.760, 134.940
Angle α, β, γ (deg.)	90.00, 97.58, 90.00
Int Tables number	4
Space group name H-M	P1211

Components

#1: Protein

A B D E F G H I J C
Protein mab-21-like 1

Details:

Mass: 41259.617 Da / Num. of mol.: 10
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Homo sapiens (human) / Gene: MAB21L1, CAGR1, Nbla00126 / Production host: Escherichia coli (E. coli) / References: UniProt: Q13394

#2: Chemical

A-401 B-401 D-401 E-401 F-401 G-401 H-401 H-402 I-401 C-401
ChemComp-CIT / CITRIC ACID

Details:

Mass: 192.124 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₆H₈O₇

#3: Chemical

A-402 F-402 C-402 C-403
ChemComp-TMO / trimethylamine oxide

Details:

Mass: 75.110 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃H₉NO

#4: Chemical

A-403 B-402 D-402 E-402 F-403 G-402 H-403 I-402 J-401 C-404
ChemComp-CTP / CYTIDINE-5'-TRIPHOSPHATE

Details:

Mass: 483.156 Da / Num. of mol.: 10 / Source method: obtained synthetically / Formula: C₉H₁₆N₃O₁₄P₃

#5: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 262 / Source method: isolated from a natural source / Formula: H₂O

Experimental details

Experiment

• Experiment: Method: X-RAY DIFFRACTION

Sample preparation

• Crystal: Density Matthews: 3.31 ų/Da / Density % sol: 62.88 %
• Crystal grow: Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: 1M Trisodium citrate 0.1M MES / PH range: 5.5-6.0

Data collection

• Diffraction: Mean temperature: 100 K
• Diffraction source: Source: SYNCHROTRON / Site: SLS / Beamline: X06SA / Wavelength: 1 Å
• Detector: Type: PSI PILATUS 6M / Detector: PIXEL / Date: May 6, 2014
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1 Å / Relative weight: 1
• Reflection: Resolution: 2.55→50 Å / Num. obs: 174207 / % possible obs: 99.8 % / Redundancy: 13.9 % / R_sym value: 0.075 / Net I/σ(I): 21.7
• Reflection shell: Resolution: 2.55→2.62 Å / Redundancy: 14 % / Mean I/σ(I) obs: 2.35 / R_sym value: 1.51 / % possible all: 99.7

Processing

Software

Name	Version	Classification
PHENIX	(1.10.1_2155: ???)	refinement
XDS		data reduction
XSCALE		data scaling
PHASER		phasing

Refinement

Method to determine structure: MOLECULAR REPLACEMENT
Starting model: initial model from Se-SAD

Resolution: 2.55→49.978 Å / SU ML: 0.34 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 27.95 / Stereochemistry target values: ML

	Rfactor	Num. reflection	% reflection
Rfree	0.2273	1670	96 %
Rwork	0.1992	-	-
obs	0.1995	174180	99.8 %

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

Refinement step

Cycle: LAST / Resolution: 2.55→49.978 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	27379	0	440	262	28081

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.003	28424
X-RAY DIFFRACTION	f_angle_d	0.765	38474
X-RAY DIFFRACTION	f_dihedral_angle_d	18.214	17360
X-RAY DIFFRACTION	f_chiral_restr	0.045	4213
X-RAY DIFFRACTION	f_plane_restr	0.005	4883

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.55-2.625	0.3703	139	0.3207	14323	X-RAY DIFFRACTION	100
2.625-2.7097	0.3377	138	0.2941	14275	X-RAY DIFFRACTION	100
2.7097-2.8066	0.3036	138	0.2733	14316	X-RAY DIFFRACTION	100
2.8066-2.9189	0.3043	139	0.2656	14308	X-RAY DIFFRACTION	100
2.9189-3.0517	0.3177	139	0.255	14353	X-RAY DIFFRACTION	100
3.0517-3.2126	0.2884	139	0.2407	14359	X-RAY DIFFRACTION	100
3.2126-3.4139	0.2377	139	0.2258	14361	X-RAY DIFFRACTION	100
3.4139-3.6774	0.2645	139	0.2129	14364	X-RAY DIFFRACTION	100
3.6774-4.0473	0.2254	139	0.1973	14426	X-RAY DIFFRACTION	100
4.0473-4.6326	0.1765	140	0.1673	14399	X-RAY DIFFRACTION	100
4.6326-5.8351	0.2255	140	0.1772	14444	X-RAY DIFFRACTION	100
5.8351-49.9872	0.1754	141	0.1641	14582	X-RAY DIFFRACTION	100

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	2.2218	0.9433	1.551	1.5398	2.0698	3.3628	-0.4374	0.5882	0.0713	-0.3745	0.1417	0.0665	-1.1938	0.4742	0.3273	0.8168	-0.0915	0.0326	0.5502	0.0108	0.4033	169.1576	57.3561	-5.6615
2	3.8021	1.0411	0.6205	2.429	-0.2946	5.0069	0.0293	0.6521	-0.3251	-0.3266	0.2394	0.1277	0.1156	-0.0751	-0.2344	0.6813	-0.0023	0.0215	0.633	-0.0219	0.378	158.9907	46.0178	-21.3612
3	2.7436	1.6271	2.3655	2.3875	0.7783	5.2204	0.0163	-0.2073	0.1349	-0.0973	-0.3323	0.3992	-0.2606	-0.9689	0.3627	0.5274	-0.0462	0.0568	0.758	-0.0246	0.507	153.2609	45.2349	-2.5749
4	2.4289	0.1265	0.7736	3.8725	1.5265	3.7044	0.0439	-0.0259	-0.3048	0.0279	0.0325	-0.0574	0.2838	-0.1107	-0.0574	0.5251	-0.1094	0.0185	0.4153	0.0393	0.3766	169.8095	42.4966	7.289
5	3.3268	3.374	-3.8385	3.7835	-5.1868	7.9417	-0.3303	-0.1251	-0.0824	-0.5978	0.0675	-0.0072	0.4624	0.3983	0.342	0.822	0.0289	0.0425	0.4573	-0.0248	0.5251	166.9395	4.2912	51.454
6	6.6449	0.9592	-1.0333	3.662	-2.3553	3.5288	0.1933	0.3683	0.0142	0.3844	0.1028	0.7246	-0.4691	-0.69	-0.2492	0.7486	0.0597	0.0118	0.518	-0.0422	0.5881	145.2334	1.6166	67.9634
7	2.5743	-0.7389	0.1291	3.7052	-2.293	3.2268	-0.0343	-0.1753	0.2882	0.3511	0.0965	0.2388	-0.1878	-0.1633	-0.0628	0.6754	-0.0488	-0.0224	0.3711	-0.0388	0.5284	151.9087	5.8038	64.2713
8	2.8337	0.1234	-0.9534	3.3177	0.3	3.5916	0.1962	-0.1581	0.3004	0.4953	-0.0375	0.258	-0.4231	0.1944	-0.1587	0.8027	-0.0785	0.0354	0.3981	-0.015	0.5861	164.4535	20.4622	53.6189
9	4.8838	-3.2563	1.3765	5.8169	-1.6842	3.6762	-0.6152	-0.3337	1.512	0.8643	0.1834	-0.5611	-1.1218	-0.053	0.1193	1.0247	-0.1022	-0.0365	0.4545	-0.1156	0.9238	164.0023	81.9334	38.1705
10	2.8053	0.3746	1.0036	2.547	0.7325	2.2579	-0.0904	0.7135	1.3583	-0.178	-0.3405	-0.8347	-1.3647	-0.308	0.2859	1.3809	0.1942	-0.0284	0.8731	0.3604	1.7806	152.8792	94.4897	22.7823
11	5.3851	-1.4007	2.7494	2.2837	-0.3803	7.4199	0.5537	-0.1572	0.099	0.2418	-0.1167	0.8446	-0.4778	-0.8685	-0.4431	0.6196	0.0789	0.0298	0.6708	0.0648	0.8982	149.175	74.0183	27.3304
12	3.4756	-1.0722	-0.5774	2.2687	-1.2511	7.0921	0.1208	0.0187	0.1453	-0.1005	-0.1232	0.0369	-0.0697	-0.1501	-0.0021	0.5231	-0.1368	-0.0061	0.3434	0.0015	0.4024	167.0819	66.8542	28.0192
13	4.1392	-4.232	-4.1968	5.0555	5.3797	6.046	-0.2432	-0.1268	-0.3907	0.2839	0.0953	0.1996	0.1627	0.0728	0.1016	0.568	-0.0293	-0.0308	0.4772	0.0189	0.5575	115.6509	-2.9039	15.4714
14	6.4387	0.7374	-0.8859	3.3906	1.8328	3.2936	0.1938	0.5993	0.0764	-0.2551	0.3631	-0.7493	-0.3574	0.6595	-0.5214	0.9815	-0.1072	0.0443	0.6077	-0.0739	0.7118	135.571	-1.7773	-3.021
15	4.8295	0.6638	0.2535	4.4932	1.6672	3.057	0.008	-0.3373	0.3807	-0.3119	0.1237	-0.3692	-0.3358	0.1457	-0.1106	0.4994	-0.0214	0.0284	0.4254	-0.0971	0.5226	125.1352	2.4376	8.2305
16	3.9521	-1.9747	-3.163	3.4268	3.3124	3.8479	-0.0781	-0.0946	0.4092	-0.2545	0.4406	-0.2927	0.5454	0.2754	-0.4563	0.7074	-0.1234	0.046	0.6377	-0.1227	0.7362	128.7037	6.6208	8.912
17	3.6369	-0.6652	-1.0674	2.9067	-0.0779	4.0373	0.155	0.0817	0.321	-0.4814	0.0432	-0.3001	-0.1138	0.0084	-0.1828	0.6563	-0.003	0.0423	0.4201	-0.0267	0.6684	112.2893	16.2148	15.3686
18	4.495	-1.4998	-2.7061	2.1678	1.076	2.9334	0.1222	-0.3036	-0.186	-0.1496	-0.0165	0.1164	-0.2861	-0.0915	0.0339	0.974	-0.1765	0.0348	0.5632	-0.0425	0.4887	154.3701	51.1806	73.2234
19	6.47	-1.3482	-0.8805	0.7644	0.0369	2.3132	0.3088	-0.4556	0.5142	0.2101	-0.0595	-0.0177	-0.66	-0.0407	-0.3328	1.1227	-0.0988	0.1824	0.8058	-0.1135	0.5608	150.6108	65.4376	83.2293
20	2.4094	1.9633	-0.2276	5.8047	-1.1919	8.9232	-0.1931	1.5218	-0.7121	-0.3907	-0.1604	1.1891	0.8276	-0.4831	0.0455	0.7153	-0.1682	-0.1028	1.5547	-0.13	0.6903	140.3565	52.3125	56.2418
21	2.6159	-0.7547	-1.0884	2.6319	-0.4718	2.0003	-0.0327	0.0817	-0.3259	-0.1224	0.0692	0.1625	0.1222	-0.5116	-0.0502	0.7503	-0.1384	-0.0334	0.5957	-0.0812	0.3985	160.2258	53.4947	58.7877
22	2.4415	-3.4463	2.9924	9.537	-5.7955	3.9132	-0.3438	-0.6286	0.0462	0.6988	0.2575	-0.0829	-0.4644	-0.4418	0.114	0.7981	0.0544	0.0536	0.9388	0.008	0.5927	108.7796	9.3166	65.7922
23	3.7632	-0.337	-0.0488	2.6793	-1.0973	1.6911	-0.06	-0.0371	-0.3799	-0.2462	-0.0875	-0.4331	0.3732	-0.0497	0.1523	0.6675	-0.019	0.038	0.6029	0.1378	0.5816	121.8815	-5.8834	61.8763
24	3.5996	-0.7596	0.8326	3.4889	-0.5979	3.1212	-0.0363	0.0531	0.0105	-0.1196	-0.1799	-0.0762	0.1601	-0.0924	0.1829	0.5881	0.1025	0.1109	0.6132	0.0411	0.5103	110.2343	12.245	48.1305
25	3.5787	1.772	-1.5388	1.8188	-1.5611	2.12	-0.5518	0.9611	-0.0537	-0.6749	0.3597	-0.3229	0.2589	-0.2693	0.2801	1.3164	0.083	0.2154	0.8977	0.0962	0.8133	122.422	47.9619	-13.8714
26	3.3662	0.3704	-1.0446	3.1302	-0.5844	1.1876	-0.0929	0.033	-0.0608	-0.3455	-0.099	-0.4377	0.1419	0.296	0.1956	0.571	0.1301	0.0163	0.6041	0.1538	0.597	119.4021	47.9842	3.2102
27	2.7853	0.3335	3.4601	1.0606	-0.014	4.1075	-0.0034	-0.5888	0.4853	0.326	-0.3004	0.386	-1.0565	-0.6895	0.2201	1.212	-0.065	0.2493	0.9525	-0.1686	0.7102	105.7987	59.4467	65.3185
28	2.8914	-1.0154	2.96	3.4658	-0.0976	3.2855	0.1442	-0.2392	0.2029	1.3007	-0.4196	-0.1332	-0.0801	-0.0911	0.157	1.4255	-0.3418	0.0745	1.1905	-0.0224	0.6273	122.8836	51.8028	86.1873
29	2.7981	-0.0241	1.6421	2.7657	-0.6618	2.4626	0.5609	-0.1329	-0.0744	0.4537	-0.51	0.1427	-0.1964	0.4034	0.065	1.1016	-0.1358	0.0548	1.1031	-0.1261	0.658	118.4374	49.0604	74.3609
30	2.6908	-0.0722	0.6718	5.6304	-1.6584	3.5958	-0.0927	-0.0868	-0.0151	0.2653	0.2491	0.0685	0.0792	0.3308	-0.1646	0.6565	0.1871	0.0539	0.8437	-0.1097	0.5236	107.5714	43.084	58.9787
31	6.716	1.4628	-0.1068	2.3505	3.0839	4.6178	0.4165	0.1733	0.5151	-0.4212	-0.5998	0.9766	-0.817	-0.6069	0.1946	1.0689	0.272	0.1848	0.7953	0.0282	0.6005	106.8133	61.7594	20.1941
32	6.0801	-0.945	2.0834	0.3874	0.6934	4.7589	-0.6144	0.5423	0.6156	-1.4417	0.4945	-0.1754	-2.3189	0.8613	0.1108	2.3075	-0.2846	0.5445	1.0403	-0.0109	1.2129	120.4005	94.2888	23.2069
33	2.2435	-0.0328	-0.0722	0.0984	-0.3561	0.5654	-0.6298	-0.6604	1.3401	0.0556	0.0833	-0.082	-1.3156	0.343	0.2933	1.9219	-0.0493	0.1309	1.0017	-0.2933	1.4372	121.2815	92.873	35.1738
34	5.2822	-0.6065	1.4132	4.0206	-0.3913	3.5792	0.4153	-0.1924	-0.5102	-0.1767	0.3142	-0.1424	-1.0335	0.7285	-0.6148	1.054	-0.1559	0.2143	1.0295	-0.2461	1.1956	125.2725	76.4648	33.9631
35	1.8613	3.68	3.2627	9.9272	6.4369	5.57	0.9551	-0.9676	0.2735	-0.6827	-0.6017	-0.6285	-1.8523	0.5617	-0.3255	1.1992	-0.4406	0.4274	1.375	-0.4363	1.1732	126.2781	75.2188	33.0234
36	3.5091	-0.7203	-2.3235	3.2521	2.6879	9.0383	0.2981	-0.367	0.4421	0.087	0.0748	-0.2357	-0.1183	0.465	-0.3636	0.6151	0.1611	0.0106	0.7036	-0.0545	0.65	110.5002	65.0068	35.184
37	2.5799	2.2222	2.0367	3.994	3.8566	4.1629	-0.1409	0.237	0.101	-0.7614	0.1568	-0.2202	-0.6101	0.2921	0.0628	0.6586	-0.0186	0.0177	0.4324	0.0505	0.4388	172.5189	12.7294	6.2609
38	6.6765	1.2734	-0.7222	3.0913	0.3512	2.9976	-0.0654	0.1554	-0.1294	0.3011	-0.1343	0.8629	0.3456	-0.2344	0.1976	0.7683	0.0275	0.0994	0.3313	-0.0751	0.6473	155.8151	-9.8288	5.6269
39	6.4422	-1.8425	-1.9128	4.013	1.4471	2.3987	-0.112	-0.4357	0.1969	0.1918	0.021	0.3938	0.2157	0.0203	0.1121	0.5095	-0.0097	-0.0165	0.4085	-0.1042	0.4263	159.9533	-1.9729	10.6004
40	2.9825	1.297	0.0915	3.059	0.0799	2.2299	0.047	-0.0523	-0.186	0.252	-0.1946	0.1355	0.233	-0.0838	0.1243	0.5781	-0.0515	0.0555	0.3162	-0.0473	0.461	167.503	12.8993	21.5165

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 1 through 72 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 73 through 184 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 185 through 246 )
4	X-RAY DIFFRACTION	4	chain 'A' and (resid 247 through 359 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid -2 through 48 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 49 through 124 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 125 through 246 )
8	X-RAY DIFFRACTION	8	chain 'B' and (resid 247 through 359 )
9	X-RAY DIFFRACTION	9	chain 'D' and (resid -1 through 79 )
10	X-RAY DIFFRACTION	10	chain 'D' and (resid 80 through 184 )
11	X-RAY DIFFRACTION	11	chain 'D' and (resid 185 through 246 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 247 through 359 )
13	X-RAY DIFFRACTION	13	chain 'E' and (resid 1 through 72 )
14	X-RAY DIFFRACTION	14	chain 'E' and (resid 73 through 141 )
15	X-RAY DIFFRACTION	15	chain 'E' and (resid 142 through 206 )
16	X-RAY DIFFRACTION	16	chain 'E' and (resid 207 through 246 )
17	X-RAY DIFFRACTION	17	chain 'E' and (resid 247 through 359 )
18	X-RAY DIFFRACTION	18	chain 'F' and (resid -2 through 102 )
19	X-RAY DIFFRACTION	19	chain 'F' and (resid 103 through 176 )
20	X-RAY DIFFRACTION	20	chain 'F' and (resid 177 through 206 )
21	X-RAY DIFFRACTION	21	chain 'F' and (resid 207 through 359 )
22	X-RAY DIFFRACTION	22	chain 'G' and (resid -2 through 70 )
23	X-RAY DIFFRACTION	23	chain 'G' and (resid 71 through 230 )
24	X-RAY DIFFRACTION	24	chain 'G' and (resid 231 through 359 )
25	X-RAY DIFFRACTION	25	chain 'H' and (resid -2 through 157 )
26	X-RAY DIFFRACTION	26	chain 'H' and (resid 158 through 359 )
27	X-RAY DIFFRACTION	27	chain 'I' and (resid 1 through 48 )
28	X-RAY DIFFRACTION	28	chain 'I' and (resid 49 through 142 )
29	X-RAY DIFFRACTION	29	chain 'I' and (resid 143 through 246 )
30	X-RAY DIFFRACTION	30	chain 'I' and (resid 247 through 359 )
31	X-RAY DIFFRACTION	31	chain 'J' and (resid -1 through 29 )
32	X-RAY DIFFRACTION	32	chain 'J' and (resid 30 through 65 )
33	X-RAY DIFFRACTION	33	chain 'J' and (resid 66 through 158 )
34	X-RAY DIFFRACTION	34	chain 'J' and (resid 159 through 206 )
35	X-RAY DIFFRACTION	35	chain 'J' and (resid 207 through 246 )
36	X-RAY DIFFRACTION	36	chain 'J' and (resid 247 through 359 )
37	X-RAY DIFFRACTION	37	chain 'C' and (resid -2 through 48 )
38	X-RAY DIFFRACTION	38	chain 'C' and (resid 49 through 141 )
39	X-RAY DIFFRACTION	39	chain 'C' and (resid 142 through 230 )
40	X-RAY DIFFRACTION	40	chain 'C' and (resid 231 through 359 )