PDB-4qae: Crystal structure of an engineered lipocalin (Anticalin) in compl...

ID or keywords:

Entry

Database: PDB / ID: 4qae

Title

Crystal structure of an engineered lipocalin (Anticalin) in complex with human hepcidin

Components

Hepcidin
Neutrophil gelatinase-associated lipocalin

Keywords

TRANSPORT PROTEIN/SIGNALING PROTEIN /

beta-barrel / engineered lipocalin /

binding protein / protein-peptide complex / TRANSPORT PROTEIN-SIGNALING PROTEIN complex

Function / homology

Function and homology information

negative regulation of intestinal absorption / iron ion transmembrane transport / siderophore transport / Metal sequestration by antimicrobial proteins /

macrophage activation / iron ion sequestering activity / positive regulation of macrophage activation /

enterobactin binding / response to iron ion / negative regulation of bone resorption ...
Similarity search - Function

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON / Resolution: 2.1 Å

Authors

Giese, T. / Skerra, A.

Citation

Journal: To be Published
Title: Structure of a hepcidin-binding anticalin in complex with its peptide ligand
Authors: Giese, T. / Skerra, A.

History

Deposition	May 4, 2014	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	May 6, 2015	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4qae.cif.gz	482.4 KB	Display	PDBx/mmCIF format
PDB format	pdb4qae.ent.gz	415.6 KB	Display	PDB format
PDBx/mmJSON format	4qae.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/qa/4qae ftp://data.pdbj.org/pub/pdb/validation_reports/qa/4qae	HTTPS FTP

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Related structure data

Similar structure data	7meu-1 4tqb-1 4tpw-1 7d5y-d 4iaw-1 6ntt-1 5m7z-2 3gzj-3 3rbk-1 4lec-1 Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

Similar structure data

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#193 - Jan 2016 Siderocalin similarity (8) #78 - Jun 2006 Luciferase similarity (1)

Deposited unit

P: Hepcidin

Q: Hepcidin

R: Hepcidin

S: Hepcidin

T: Hepcidin

U: Hepcidin

A: Neutrophil gelatinase-associated lipocalin

B: Neutrophil gelatinase-associated lipocalin

C: Neutrophil gelatinase-associated lipocalin

D: Neutrophil gelatinase-associated lipocalin

E: Neutrophil gelatinase-associated lipocalin

F: Neutrophil gelatinase-associated lipocalin

hetero molecules

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

1

P: Hepcidin

A: Neutrophil gelatinase-associated lipocalin

hetero molecules

defined by author&software
24.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

Q: Hepcidin

B: Neutrophil gelatinase-associated lipocalin

hetero molecules

defined by author&software
24.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

3

R: Hepcidin

C: Neutrophil gelatinase-associated lipocalin

defined by author&software
24.3 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

4

S: Hepcidin

D: Neutrophil gelatinase-associated lipocalin

hetero molecules

defined by author&software
24.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

T: Hepcidin

E: Neutrophil gelatinase-associated lipocalin

hetero molecules

defined by author&software
24.5 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

6

U: Hepcidin

F: Neutrophil gelatinase-associated lipocalin

hetero molecules

defined by author&software
24.7 kDa, 2 polymers
Search similar-shape structures of this assembly by Omokage search (details)

Unit cell

Length a, b, c (Å)	126.894, 126.894, 156.707
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	152
Space group name H-M	P3₁21

#1: Protein/peptide	Hepcidin / / Liver-expressed antimicrobial peptide 1 / LEAP-1 / Putative liver tumor regressor / PLTR / Hepcidin- ...Liver-expressed antimicrobial peptide 1 / LEAP-1 / Putative liver tumor regressor / PLTR / Hepcidin-25 / Hepc25 / Hepcidin-20 / Hepc20 Mass: 2802.455 Da / Num. of mol.: 6 / Fragment: UNP residues 60-84 / Source method: obtained synthetically / Source: (synth.) Homo sapiens (human) / References: UniProt: P81172
#2: Protein	Neutrophil gelatinase-associated lipocalin / NGAL / 25 kDa alpha-2-microglobulin-related subunit of MMP-9 / Lipocalin-2 / Oncogene 24p3 / ...NGAL / 25 kDa alpha-2-microglobulin-related subunit of MMP-9 / Lipocalin-2 / Oncogene 24p3 / Siderocalin LCN2 / p25 Mass: 21497.367 Da / Num. of mol.: 6 / Fragment: UNP residues 21-198 Mutation: Q28H,A40E,I41V,Q49M,Y52W,K59E,S68I,L70M,F71P,R72L,K73A,K74E,D77E,W79L,I80F,R81Q,C87S,N96G,Y100G,L103R,Y106G,K125V,S127W,Y132V,K134W,I135V Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: engineered variant, HNL, LCN2, NGAL / Plasmid: pEX2200-I24 / Production host: Escherichia coli (E. coli) / Strain (production host): JM83 / References: UniProt: P80188
#3: Chemical	ChemComp-CL / CHLORIDE ION / Chloride Mass: 35.453 Da / Num. of mol.: 5 / Source method: obtained synthetically / Formula: Cl
#4: Chemical	ChemComp-MPD / (4S)-2-METHYL-2,4-PENTANEDIOL / 2-Methyl-2,4-pentanediol Mass: 118.174 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₆H₁₄O₂ / Comment: precipitant*YM
#5: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 629 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.5 Å³/Da / Density % sol: 50.76 %
Crystal grow	Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.6 Details: 0.1 M HEPES/NaOH, 47% w/v MPD, pH 6.6, VAPOR DIFFUSION, HANGING DROPS, temperature 293K

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Data collection

Diffraction

Mean temperature: 100 K

Diffraction source

Source:

SYNCHROTRON / Site:

BESSY

/ Beamline: 14.1 / Wavelength: 2 Å

Detector

Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: May 18, 2010 / Details: mirrors

Radiation

Monochromator: sagittally bent Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 2 Å / Relative weight: 1

Reflection

Resolution: 2.1→35 Å / Num. all: 162481 / Num. obs: 162157 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3 / Redundancy: 10.33 % / B_iso Wilson estimate: 37.056 Å² / R_merge(I) obs: 0.083 / Net I/σ(I): 19.1

Reflection shell

Resolution (Å)	R_merge(I) obs	Mean I/σ(I) obs	Num. measured obs	Num. unique obs	Diffraction-ID	% possible all
2.1-2.16	0.668	2.83	60503	11862	1	98.8
2.16-2.22	0.558	4.45	98125	11713	1	99.7
2.22-2.29	0.443	6.19	115309	11369	1	99.8
2.29-2.36	0.39	7.07	114823	11040	1	99.9
2.36-2.44	0.328	8.47	114483	10769	1	100
2.44-2.52	0.251	10.67	112094	10366	1	100
2.52-2.62	0.208	12.34	108669	9965	1	100
2.62-2.72	0.176	14.16	105689	9635	1	100
2.72-2.85	0.136	17.33	101930	9235	1	100
2.85-2.98	0.103	21.39	97725	8810	1	100
2.98-3.15	0.085	24.77	93549	8404	1	100
3.15-3.34	0.073	28.32	88733	7950	1	100
3.34-3.57	0.061	32.86	83035	7425	1	100
3.57-3.85	0.056	35.69	78309	6967	1	99.9
3.85-4.22	0.05	38.91	71475	6380	1	100
4.22-4.72	0.044	42.54	64786	5765	1	100
4.72-5.45	0.043	41.85	57870	5093	1	100
5.45-6.67	0.044	42.05	49627	4312	1	100
6.67-9.44	0.039	45.33	38200	3295	1	100
9.44-35	0.034	49.81	20887	1802	1	97.9

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Processing

Software

Name	Version	Classification
XSCALE		data scaling
REFMAC	5.6.0117	refinement
PDB_EXTRACT	3.11	data extraction
MAR345dtb		data collection
XDS		data reduction
Auto-Rickshaw		phasing

Refinement

Resolution: 2.1→33.18 Å / Cor.coef. F_o:F_c: 0.97 / Cor.coef. F_o:F_c free: 0.953 / WR_factor R_free: 0.2035 / WR_factor R_work: 0.1643 / FOM work R set: 0.8245 / SU B: 7.376 / SU ML: 0.105 / SU R Cruickshank DPI: 0.1744 / SU R_free: 0.1547 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.174 / ESU R Free: 0.155 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.2065	4267	5 %	RANDOM
R_work	0.1661	80956	-	-
obs	0.1681	80956	99.76 %	-

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK

Displacement parameters

B_iso max: 144.28 Å² / B_iso mean: 39.088 Å² / B_iso min: 12.75 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-0.1 Å²	-0.05 Å²	-0 Å²
2-	-	-0.1 Å²	0 Å²
3-	-	-	0.32 Å²

Refinement step

Cycle: LAST / Resolution: 2.1→33.18 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	9240	0	69	629	9938

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.013	0.019	9576
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.02	9003
X-RAY DIFFRACTION	r_angle_refined_deg	1.595	1.955	13003
X-RAY DIFFRACTION	r_angle_other_deg	0.812	3	20775
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.724	5	1133
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	37.823	24.404	436
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	14.761	15	1608
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	13.99	15	38
X-RAY DIFFRACTION	r_chiral_restr	0.094	0.2	1406
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.021	10609
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	2225
X-RAY DIFFRACTION	r_mcbond_it	1.074	1.409	4580
X-RAY DIFFRACTION	r_mcbond_other	1.07	1.409	4579
X-RAY DIFFRACTION	r_mcangle_it	1.806	2.097	5697

LS refinement shell

Resolution: 2.1→2.154 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.259	341	-
R_work	0.223	5796	-
all	-	6137	-
obs	-	-	98.29 %

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	4.5872	2.1235	-0.6678	1.8131	1.4277	4.2911	0.0876	-0.542	-0.7486	0.385	0.1081	-0.4019	0.9799	0.851	-0.1957	0.3161	0.1324	-0.0814	0.2529	0.028	0.2468	122.3879	15.2343	-22.6498
2	8.3691	-5.5035	2.5745	9.5968	-4.3243	6.9468	0.1692	-0.0356	-0.5864	-0.2293	0.1735	0.4788	0.6111	-0.0933	-0.3427	0.1033	-0.0071	0.0096	0.1236	-0.0259	0.0805	115.5181	19.975	-26.0208
3	15.3017	-3.9237	0.398	1.0385	-0.0623	0.2775	0.3164	0.2315	0.3618	-0.1491	-0.1374	-0.1449	-0.183	0.1509	-0.1791	0.3291	0.0259	0.033	0.4583	0.0202	0.329	130.4335	21.6837	0.1117
4	9.8326	0.8433	0.2491	6.6658	-0.2545	6.806	-0.1109	-0.5342	0.2944	0.3414	-0.0291	-0.3413	-0.0105	0.4317	0.14	0.094	0.0255	-0.0388	0.099	-0.0069	0.0557	113.3706	21.6022	-2.3863
5	6.9805	-8.7765	-5.0784	14.3736	9.157	7.6889	-0.3781	-0.3113	-0.333	-0.0025	0.4231	0.2019	0.4036	0.4068	-0.045	0.3007	-0.0024	0.0004	0.2907	0.0098	0.3399	137.3523	28.1531	-19.165
6	7.6584	-2.72	-2.396	9.3127	2.0494	6.7605	0.1554	0.1294	0.2607	-0.3906	-0.0287	-0.4092	-0.2983	0.514	-0.1267	0.0919	-0.0891	-0.0116	0.2041	-0.0801	0.2131	125.7722	39.5441	-13.8985
7	26.0694	-5.091	-13.9854	1.0555	2.7428	7.5319	0.2087	-0.1263	-0.1087	-0.0409	-0.1546	0.0558	-0.1197	0.0214	-0.0541	0.3246	-0.0138	-0.0065	0.5232	-0.044	0.5374	82.8879	59.8668	-14.0962
8	10.4055	-0.2899	-2.2431	5.5578	0.5505	6.5613	0.1386	-0.4245	0.4075	0.2739	-0.0048	-0.0483	-0.5261	-0.0584	-0.1338	0.2867	0.0482	0.0656	0.0402	0.0382	0.1916	98.3544	55.3787	-19.5811
9	6.3789	0.4902	2.7253	7.3748	-3.4967	5.1163	0.1121	0.359	0.6966	-0.2311	-0.2674	0.3231	-0.5674	-0.2677	0.1553	0.3165	0.1626	-0.0057	0.2566	0.0349	0.1261	87.1006	37.953	-31.4382
10	3.529	-0.3371	-0.5708	10.2262	2.6161	0.8147	-0.1216	0.3281	0.6194	-0.9865	0.2011	-0.093	-0.3355	-0.114	-0.0795	0.2673	0.0903	-0.0411	0.2838	0.0354	0.2181	86.7056	39.784	-32.7906
11	11.4105	-2.5146	7.8783	1.1708	-0.803	6.8886	-0.0759	0.4252	0.1251	-0.1627	-0.2789	0.1797	-0.2684	0.063	0.3548	0.3351	0.0165	-0.0302	0.3958	0.0317	0.3792	70.8952	40.9914	-18.1425
12	8.2295	-0.7123	1.0236	6.3085	-1.0708	6.8943	0.1911	0.0206	-0.275	0.0569	-0.0587	0.4817	0.0866	-0.6761	-0.1324	0.1142	0.0232	0.0625	0.1696	-0.0385	0.1145	85.3338	38.2022	-6.8862
13	8.6629	3.5908	-0.3724	3.3454	0.4459	0.4154	-0.0743	0.3906	-0.2696	-0.1148	0.1163	-0.0101	0.0599	-0.0253	-0.042	0.2202	0.0363	0.0139	0.2588	0.0015	0.147	120.9639	20.3586	-46.1901
14	0.9065	-0.2952	-0.8646	1.7923	0.4832	3.0353	0.1375	-0.0947	0.1959	-0.0355	0.106	-0.2088	-0.0822	0.4683	-0.2434	0.0607	-0.0064	0.0522	0.134	-0.0328	0.1194	126.5774	29.4723	-31.6531
15	3.717	1.6797	0.4065	10.6566	4.5698	2.0038	-0.0647	0.4177	-0.854	-0.3017	0.2367	-0.6194	-0.0389	0.1134	-0.1719	0.7241	-0.0171	0.0242	0.649	-0.0469	0.6854	128.6216	9.1598	-33.5276
16	3.1406	0.5919	-0.8618	3.1759	0.2971	3.2684	0.125	0.3188	0.2641	-0.3159	0.0344	-0.0079	-0.1627	-0.0461	-0.1594	0.0797	0.0203	0.055	0.1373	0.017	0.0646	120.6291	30.3929	-39.0573
17	0.4555	-2.0082	-0.3456	13.9639	1.9598	0.3679	0.0486	-0.106	0.2685	0.0656	0.0452	-0.168	-0.1288	-0.0618	-0.0938	0.3056	0.0211	-0.0143	0.3989	-0.0998	0.4074	99.9988	20.6107	8.3725
18	1.4744	-0.5471	0.5102	3.6242	-1.0265	3.675	-0.0771	-0.1049	-0.1443	0.0504	0.0285	0.0006	0.453	0.1335	0.0486	0.0951	0.0192	-0.0046	0.022	0.0284	0.0477	106.3627	8.5802	-7.4795
19	1.8811	-0.3415	0.7944	8.5017	-4.5373	3.8008	-0.0333	-0.4712	-0.152	0.743	-0.0828	-0.4539	0.0043	0.4427	0.1161	0.2313	0.1774	-0.0232	0.3826	0.0071	0.0999	117.5639	9.2396	-7.2252
20	2.4729	0.064	-0.6501	4.0709	0.4547	5.0147	-0.095	-0.1528	-0.1771	0.1762	0.0787	0.1457	0.4493	-0.0895	0.0163	0.1275	0.0138	0.0272	0.0246	0.0338	0.058	103.2967	9.8903	-5.7711
21	1.8075	-1.4549	2.0731	5.2059	-5.4967	11.9363	-0.242	-0.2449	0.5023	0.2866	-0.0676	-0.4772	-0.6987	-0.0115	0.3095	0.388	-0.165	-0.0678	0.4293	-0.1328	0.556	133.1666	52.8162	-0.8287
22	4.3665	0.9465	0.4983	1.409	1.1151	3.5315	0.0849	-0.4526	0.2107	0.2354	0.0001	-0.3252	-0.1273	0.186	-0.085	0.133	-0.0757	-0.0473	0.2082	-0.1388	0.2084	121.6137	40.3462	0.2512
23	3.5961	1.9654	1.4468	3.0444	1.2294	2.5189	-0.052	-0.0566	0.1237	0.2072	0.1145	-0.7658	-0.2009	0.8089	-0.0624	0.1614	-0.0884	-0.137	0.4413	-0.0834	0.401	129.7132	37.3833	1.1114
24	3.4795	0.2567	-0.5446	4.2018	0.3467	4.4943	0.0984	-0.3987	0.5909	0.3946	0.0288	-0.2775	-0.709	0.3396	-0.1272	0.2425	-0.0891	-0.0822	0.2251	-0.1554	0.2765	121.393	47.3421	-1.1731
25	2.0977	-0.6119	0.1834	2.9055	-0.5988	3.7797	0.0739	0.1552	0.4851	-0.2067	-0.0717	-0.0547	-0.5455	-0.0927	-0.0022	0.3462	0.068	0.1201	0.0664	0.1018	0.2469	100.4158	56.6579	-34.038
26	1.8577	0.1102	-0.2961	4.3497	-2.08	1.9436	0.0571	0.1647	0.6799	0.132	0.0604	0.0949	-0.6069	-0.2727	-0.1175	0.45	0.1204	0.0449	0.1301	0.1095	0.3122	96.0028	58.4287	-34.4065
27	3.9394	1.0153	0.6523	1.3898	-0.0277	5.3908	0.1552	0.1518	0.6034	-0.0124	-0.1303	-0.1901	-0.5382	0.0007	-0.0249	0.3932	0.0343	0.1085	0.0545	0.1202	0.2883	103.1078	57.9852	-30.7213
28	2.8244	0.5952	-2.3307	3.747	-1.5664	6.2602	0.0791	0.3652	0.2104	-0.5565	0.012	-0.6914	-0.506	0.5619	-0.0912	0.3536	-0.0504	0.1805	0.2638	0.0688	0.2838	110.9066	52.7855	-34.23
29	8.9501	3.7629	-4.1073	5.2485	-1.5001	7.7866	-0.0847	0.7007	-0.3885	-0.509	0.0567	-0.2071	0.1137	-0.2429	0.0279	0.2208	0.0053	-0.1204	0.2449	-0.0601	0.2221	82.3006	19.8222	-39.3891
30	1.6517	0.5753	0.4758	2.4448	0.3889	3.2901	0.121	0.0491	0.1214	-0.1436	-0.2128	0.4871	-0.1213	-0.8332	0.0918	0.0466	0.0358	-0.0486	0.2747	-0.0167	0.1641	79.7595	28.1566	-23.1027
31	1.4732	-0.2686	3.2945	2.5011	-0.5169	7.4682	0.0033	0.0108	-0.0028	-0.4317	0.1326	0.1474	-0.1628	0.0606	-0.1359	0.4385	0.0022	0.033	0.4348	0.0226	0.4585	77.2709	35.9242	-34.8768
32	3.1246	0.402	-0.223	3.6211	0.3819	4.5471	0.0791	0.1479	-0.2726	-0.1414	-0.1073	0.2617	0.3709	-0.4604	0.0282	0.0627	-0.0478	-0.0534	0.1547	-0.0459	0.1359	83.9869	20.2503	-27.1376
33	3.4899	-1.2711	-0.521	7.4227	4.1161	3.4735	0.0065	-0.005	-0.0683	0.0659	-0.0639	0.1649	0.0725	-0.2164	0.0574	0.2702	0.0051	0.0197	0.2648	0.0366	0.2014	84.3611	37.7142	11.9324
34	3.3067	0.1453	-0.7347	4.1895	1.5482	3.5763	0.0299	-0.347	0.435	0.2822	0.1147	-0.0192	-0.339	-0.1257	-0.1446	0.1962	0.0426	0.0318	0.1656	-0.0675	0.1011	90.9215	51.8791	4.9842
35	2.8046	-0.1852	-1.7988	1.1956	1.474	3.0509	0.2903	0.0712	0.2499	-0.113	-0.1538	0.0995	-0.4482	-0.4936	-0.1365	0.2164	0.1309	0.0985	0.2687	0.0154	0.1933	88.1709	50.8706	-4.3051
36	3.0862	0.317	-0.4622	4.7384	0.4531	3.5045	0.0935	-0.4347	0.1253	0.5191	-0.0177	-0.0774	-0.0388	-0.0835	-0.0758	0.2236	0.0513	0.0405	0.1816	-0.0756	0.0817	93.0956	46.3888	5.4641

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	P	1 - 15
2	X-RAY DIFFRACTION	2	P	16 - 25
3	X-RAY DIFFRACTION	3	Q	2 - 6
4	X-RAY DIFFRACTION	4	Q	7 - 25
5	X-RAY DIFFRACTION	5	R	2 - 6
6	X-RAY DIFFRACTION	6	R	7 - 25
7	X-RAY DIFFRACTION	7	S	2 - 6
8	X-RAY DIFFRACTION	8	S	7 - 25
9	X-RAY DIFFRACTION	9	T	3 - 18
10	X-RAY DIFFRACTION	10	T	19 - 25
11	X-RAY DIFFRACTION	11	U	1 - 5
12	X-RAY DIFFRACTION	12	U	6 - 25
13	X-RAY DIFFRACTION	13	A	6 - 20
14	X-RAY DIFFRACTION	14	A	21 - 94
15	X-RAY DIFFRACTION	15	A	95 - 103
16	X-RAY DIFFRACTION	16	A	104 - 177
17	X-RAY DIFFRACTION	17	B	4 - 9
18	X-RAY DIFFRACTION	18	B	10 - 59
19	X-RAY DIFFRACTION	19	B	60 - 101
20	X-RAY DIFFRACTION	20	B	102 - 178
21	X-RAY DIFFRACTION	21	C	6 - 22
22	X-RAY DIFFRACTION	22	C	23 - 59
23	X-RAY DIFFRACTION	23	C	60 - 121
24	X-RAY DIFFRACTION	24	C	122 - 177
25	X-RAY DIFFRACTION	25	D	6 - 71
26	X-RAY DIFFRACTION	26	D	72 - 121
27	X-RAY DIFFRACTION	27	D	122 - 146
28	X-RAY DIFFRACTION	28	D	147 - 177
29	X-RAY DIFFRACTION	29	E	4 - 20
30	X-RAY DIFFRACTION	30	E	21 - 93
31	X-RAY DIFFRACTION	31	E	94 - 105
32	X-RAY DIFFRACTION	32	E	106 - 177
33	X-RAY DIFFRACTION	33	F	6 - 17
34	X-RAY DIFFRACTION	34	F	18 - 43
35	X-RAY DIFFRACTION	35	F	44 - 94
36	X-RAY DIFFRACTION	36	F	95 - 177

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