PDB-12rh: Structure of turkey hemoglobin A covalently bound with epigalloca...

ID or keywords:

Entry

Database: PDB / ID: 12rh

Title

Structure of turkey hemoglobin A covalently bound with epigallocatechin gallate

Components

Hemoglobin beta chain
Hemoglobin subunit alpha-A

Keywords

OXYGEN TRANSPORT / caffeic acid / antioxidant

Function / homology

Function and homology information

haptoglobin binding / organic acid binding / haptoglobin-hemoglobin complex / hemoglobin complex / hydrogen peroxide catabolic process / oxygen carrier activity / peroxidase activity / oxygen binding / blood microparticle / iron ion binding ...
Similarity search - Function

Biological species

Meleagris gallopavo (turkey)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.995 Å

Authors

Bingman, C.A. / Yin, J. / Smith, R.W. / Richards, M.P.

Funding support

United States, 1items

Citation

Journal: J.Agric.Food Chem. / Year: 2026
Title: Oxidative Characteristics of Turkey Hemoglobin A Containing Covalently Bound Epigallocatechin Gallate.
Authors: Yin, J. / Zhang, W. / Tatiyaborworntham, N. / Bingman, C.A. / Richards, M.P.

History

Deposition	Apr 15, 2026	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 17, 2026	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	12rh.cif.gz	435.2 KB	Display	PDBx/mmCIF format
PDB format	pdb12rh.ent.gz	302.1 KB	Display	PDB format
PDBx/mmJSON format	12rh.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/2r/12rh ftp://data.pdbj.org/pub/pdb/validation_reports/2r/12rh	HTTPS FTP

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Related structure data

Related structure data	12rmC C: citing same article (ref.)
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
Related items in Molecule of the Month	#41 - May 2003 Hemoglobin similarity (4) #206 - Feb 2017 Globin Evolution similarity (4) #257 - May 2021 Fetal Hemoglobin similarity (4) #233 - May 2019 S-Nitrosylated Hemoglobin similarity (4) #159 - Mar 2013 Erythrocruorin similarity (4) #186 - Jun 2015 Receptor for Advanced Glycation End Products similarity (4) #262 - Oct 2021 Fifty Years of Open Access to PDB Structures similarity (4) #142 - Oct 2011 PDB Pioneers similarity (4)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#41 - May 2003
Hemoglobin
similarity (4)
#206 - Feb 2017
Globin Evolution
similarity (4)
#257 - May 2021
Fetal Hemoglobin
similarity (4)
#233 - May 2019
S-Nitrosylated Hemoglobin
similarity (4)
#159 - Mar 2013
Erythrocruorin
similarity (4)
#186 - Jun 2015
Receptor for Advanced Glycation End Products
similarity (4)
#262 - Oct 2021
Fifty Years of Open Access to PDB Structures
similarity (4)
#142 - Oct 2011
PDB Pioneers
similarity (4)

Deposited unit

A: Hemoglobin subunit alpha-A

B: Hemoglobin beta chain

C: Hemoglobin subunit alpha-A

D: Hemoglobin beta chain

hetero molecules

66 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

Idetical with deposited unit
defined by author&software
Evidence: gel filtration

Unit cell

Length a, b, c (Å)	80.000, 81.600, 90.520
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

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Protein , 2 types, 4 molecules ACBD

#1: Protein	Hemoglobin subunit alpha-A / Alpha-A-globin / Hemoglobin alpha-A chain Mass: 14913.244 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Meleagris gallopavo (turkey) / References: UniProt: G1N9H8
#2: Protein	Hemoglobin beta chain Mass: 16329.866 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Meleagris gallopavo (turkey) / References: UniProt: P84479

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Non-polymers , 4 types, 375 molecules

#3: Chemical	ChemComp-KDH / (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate / (-)-Epigallocatechin-3-gallate / EGCG Mass: 458.372 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₂₂H₁₈O₁₁ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME Mass: 616.487 Da / Num. of mol.: 4 / Source method: obtained synthetically / Formula: C₃₄H₃₂FeN₄O₄
#5: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: SO₄
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 368 / Source method: isolated from a natural source / Formula: H₂O

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Details

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: 2.36 Å³/Da / Density % sol: 47.97 %
Crystal grow	Temperature: 277 K / Method: vapor diffusion, sitting drop Details: THE CONCENTRATION OF HB-EGCG ADDUCT WAS 16 MG/ML IN 10 MM TRIS PH 8.0. THE CRYSTALLIZATION RESERVOIR WAS 20% PEG3350, 0.1 M RACEMIC MALIC ACID, 0.05 M HEPES PH 7.0. 200 NL PROTEIN + 150 NL ...Details: THE CONCENTRATION OF HB-EGCG ADDUCT WAS 16 MG/ML IN 10 MM TRIS PH 8.0. THE CRYSTALLIZATION RESERVOIR WAS 20% PEG3350, 0.1 M RACEMIC MALIC ACID, 0.05 M HEPES PH 7.0. 200 NL PROTEIN + 150 NL RESERVOIR. SET BY MOSQUITO IN MRC SD2 PLATES, 50 MICROLITER RESERVOIRS

Crystal

Density Matthews: 2.36 Å³/Da / Density % sol: 47.97 %

Crystal grow

Temperature: 277 K / Method: vapor diffusion, sitting drop
Details: THE CONCENTRATION OF HB-EGCG ADDUCT WAS 16 MG/ML IN 10 MM TRIS PH 8.0. THE CRYSTALLIZATION RESERVOIR WAS 20% PEG3350, 0.1 M RACEMIC MALIC ACID, 0.05 M HEPES PH 7.0. 200 NL PROTEIN + 150 NL ...

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Data collection

Diffraction

Mean temperature: 100 K / Serial crystal experiment: N

Diffraction source

Source:

SYNCHROTRON / Site:

APS

/ Beamline: 23-ID-B / Wavelength: 1.033202 Å

Detector

Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 14, 2017

Radiation

Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray

Radiation wavelength

Wavelength: 1.033202 Å / Relative weight: 1

Reflection

Resolution: 1.995→48.31 Å / Num. obs: 40813 / % possible obs: 99.9 % / Redundancy: 13.2 % / CC_1/2: 0.998 / R_merge(I) obs: 0.192 / R_rim(I) all: 0.2 / Net I/σ(I): 8.84

Reflection shell

Resolution (Å)	R_merge(I) obs	Num. unique obs	CC_1/2	R_rim(I) all	Diffraction-ID
2-2.05	2.303	2961	0.811	2.394	1
2.05-2.11	1.797	2871	0.87	1.865	1
2.11-2.17	1.454	2800	0.925	1.51	1
2.17-2.24	1.075	2733	0.97	1.117	1
2.24-2.31	1.017	2656	0.97	1.057	1
2.31-2.39	0.747	2573	0.985	0.778	1
2.39-2.48	0.642	2481	0.983	0.668	1
2.48-2.58	0.508	2385	0.988	0.53	1
2.58-2.7	0.415	2281	0.992	0.431	1
2.7-2.83	0.347	2220	0.993	0.361	1
2.83-2.98	0.284	2088	0.994	0.295	1
2.98-3.16	0.21	1990	0.996	0.219	1
3.16-3.38	0.175	1881	0.997	0.183	1
3.38-3.65	0.13	1739	0.997	0.136	1
3.65-4	0.108	1617	0.997	0.113	1
4-4.47	0.097	1485	0.997	0.101	1
4.47-5.16	0.094	1307	0.998	0.098	1
5.16-6.32	0.095	1129	0.997	0.099	1
6.32-8.94	0.074	884	0.998	0.077	1
8.94-48.31	0.06	522	0.997	0.063	1

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Processing

Software

Name	Version	Classification
PHENIX	1.21.2_5419	refinement
XSCALE	VERSION Jan 10, 2022 BUILT=20220820	data scaling
XDS	VERSION Jan 10, 2022 BUILT=20220820	data reduction
PDB_EXTRACT		data extraction
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.995→39.58 Å / SU ML: 0.2994 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 31.552
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2391	2014	4.93 %
R_work	0.1963	38799	-
obs	0.1985	40813	99.44 %

Solvent computation

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

Displacement parameters

B_iso mean: 47.11 Å²

Refinement step

Cycle: LAST / Resolution: 1.995→39.58 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	4408	0	243	368	5019

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0082	4898
X-RAY DIFFRACTION	f_angle_d	0.8455	6744
X-RAY DIFFRACTION	f_chiral_restr	0.044	734
X-RAY DIFFRACTION	f_plane_restr	0.0086	933
X-RAY DIFFRACTION	f_dihedral_angle_d	11.4296	1860

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 (%)
1.995-2.04	0.4499	140	0.3907	2672	X-RAY DIFFRACTION	97.3
2.04-2.1	0.3917	154	0.3158	2728	X-RAY DIFFRACTION	99.72
2.1-2.16	0.3821	128	0.2904	2766	X-RAY DIFFRACTION	99.76
2.16-2.23	0.28	158	0.2446	2705	X-RAY DIFFRACTION	99.55
2.23-2.31	0.2657	127	0.2398	2747	X-RAY DIFFRACTION	99.52
2.31-2.4	0.2458	141	0.2197	2746	X-RAY DIFFRACTION	99.41
2.4-2.51	0.2733	163	0.2121	2744	X-RAY DIFFRACTION	99.76
2.51-2.65	0.2688	103	0.1969	2798	X-RAY DIFFRACTION	99.38
2.65-2.81	0.2474	194	0.1898	2705	X-RAY DIFFRACTION	99.62
2.81-3.03	0.2296	109	0.2028	2809	X-RAY DIFFRACTION	99.59
3.03-3.33	0.2714	158	0.2006	2763	X-RAY DIFFRACTION	99.46
3.33-3.81	0.2349	143	0.1688	2822	X-RAY DIFFRACTION	99.76
3.82-4.8	0.1577	98	0.1443	2872	X-RAY DIFFRACTION	99.76
4.81-39.58	0.1911	198	0.1792	2922	X-RAY DIFFRACTION	99.65

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	8.35240678238	3.58276903915	0.37392088694	2.80430355279	-1.50838849025	2.37773397288	0.156104742175	0.3303244209	0.975791906253	-0.847960605701	-0.0851134087117	-0.0079553591042	-0.537469006412	0.398120592607	-0.07418278502	0.487027671628	-0.0653897292673	0.106041025136	0.551498258973	0.00809777644631	0.458881866994	-5.782	8.604	-45.106
2	3.5717960263	-0.236985048453	-0.0851835567959	3.30453039112	0.285488589102	4.09310774515	-0.0266954285686	0.147600940996	-0.304831961528	-0.220547798235	0.127552983411	-0.310960142692	0.0697518337985	0.143344584585	-0.0315142280367	0.257498971466	-0.0169724272601	0.0295454919325	0.218755788602	-0.0297149695602	0.462094092165	-15.319	-3.397	-29.808
3	5.07898539922	1.69911662806	-1.79241848292	4.41812512824	-2.12817316832	4.00717122966	-0.0680412266143	0.467468861751	-0.253031655502	-0.313122264624	-0.00606400599613	0.238017282317	0.1035771465	0.0316841740661	0.051929908917	0.28812938016	-0.0221765596139	-0.0222659204756	0.32145325656	-0.112013641963	0.462544094235	-20.635	-2.074	-39.694
4	3.94009179601	-0.715784358054	0.0358581659819	3.69099561943	0.155219636099	2.74359575761	-0.00625466573381	0.134359128787	0.024710557132	-0.135097325965	-0.0201117596723	0.205993839439	-0.158926023339	-0.0293709895481	0.0155708023183	0.244943044938	-0.0220505002299	0.035161058794	0.200441654228	-0.0501104326472	0.353537778033	-13.946	6.449	-34.485
5	2.38735944556	0.745304944944	-0.500514895639	3.90064868432	-2.38717388122	2.99635784861	-0.021448031602	0.116810204394	0.110226888464	0.0360625838726	-0.0156265513272	-0.1973579805	-0.0321435276571	-0.0221363240974	0.0546749620514	0.22453600587	0.00995751894392	-0.0464542882984	0.221537208137	-0.0394057824479	0.4635797503	-1.336	13.074	-21.838
6	4.95315933294	3.63787876689	-3.49303633043	6.1275532091	-4.43384850487	7.74286592161	0.183476098132	-0.151885132398	0.106689492942	0.377980962658	-0.426109385062	-0.640110829715	-0.569305768025	0.245758678449	0.235646190283	0.357139747572	-0.0190846476244	-0.0839985138263	0.289844029726	-0.0553627368495	0.698438168341	2.807	15.723	-16.227
7	5.91234671682	-2.06053578349	1.16636052434	4.51590489413	-4.41256633438	4.46086404089	-0.136952532758	-1.15969074311	0.634155652608	1.24170437971	0.0383099240117	-0.045562084741	-0.818448101682	-0.0986549746772	-0.0659663095779	0.531052781355	-0.0158015514855	0.0523001209659	0.664947211875	-0.113291647354	0.680601492381	-8.28	18.427	-7.255
8	4.60126157976	-1.90946131905	0.592421792969	8.47364378029	0.52928959113	3.2442383279	-0.0437313905562	0.00381371550617	0.0692418799321	0.0762203643342	0.0663347141743	0.591950638486	-0.0982977899656	-0.106473360014	-0.0195983743865	0.221428480518	-0.0173960940265	0.0335417444414	0.242660674404	0.022448492383	0.472435793879	-6.943	12.071	-22.439
9	2.32335982223	-1.0043903726	-0.661142289579	7.75106529425	5.57095185805	5.54499460068	-0.0146016522329	-0.0242752565902	-0.081308733624	0.0530333452866	0.0384923606509	-0.106471002276	0.145285247847	-0.126450171823	-0.0407026735026	0.243951914762	-0.00150006306301	0.00721436845958	0.235901814874	0.0214837319054	0.450222726148	-10.549	5.385	-16.449
10	2.61736552473	0.177218450506	-2.42762719588	8.87462061199	5.91838198073	6.43260968057	-0.96083464244	0.43002119188	0.566016008244	-0.988473996378	1.65717357952	0.817399894497	-0.159093835561	-0.650953490759	-0.734381453912	1.03355116432	-0.295233755608	-0.350418866254	0.870407686277	0.130339063496	1.20942016282	-16.764	23.278	-10.893
11	5.43485901198	4.70415270569	2.89338378893	5.15404360544	5.21941132855	8.43373671189	-0.0698275502584	0.284251168732	0.0694587406037	-0.455866329277	-0.20909102474	-0.251188677154	-0.120583243005	0.0602641704275	0.362291594654	0.28115532565	0.0497380213902	-0.0328781633077	0.360211760994	0.0890059756583	0.460037007044	-34.322	30.088	-43.683
12	3.4597276671	0.25414112804	-0.249761793963	1.36104896803	0.266145600824	2.93265877903	-0.117604240007	0.0506701442156	0.570696159777	0.0482311346952	0.0691244257967	-0.153547976364	-0.165241147298	0.0187684845429	0.071086269527	0.261497360143	-0.010135923981	-0.040588783865	0.232183175015	0.0261850324298	0.55858868495	-22.25	38.042	-27.41
13	4.20647371432	3.33968195007	3.74206417255	5.03271927281	3.46359971285	5.644755122	-0.203468162662	0.402603808369	0.535111737292	-0.444712482614	0.173825311662	-0.0552479152532	-0.50127974617	0.154531126805	0.0703563088627	0.247407709709	0.00160547701299	-0.00742018930343	0.33895940502	0.104773001737	0.608857079298	-21.434	39.727	-37.847
14	7.23917394257	-1.17202386776	2.79976119707	5.10565658599	-2.21159321668	8.32839622676	-0.025869913726	1.06057413426	-0.318494043146	-0.875200878232	-0.509847537552	-1.16134841558	0.327959132785	1.25464851825	0.525114416287	0.388242771367	0.051244239168	0.137300490986	0.511649742521	0.0319918611188	0.542606257391	-11.522	30.063	-40
15	2.6462661585	-2.59727718857	0.318727747094	2.65244083979	-0.0617519121644	0.98762512547	0.0343087746088	0.184531108141	0.0256157321248	0.0238851782089	-0.0660802970523	0.153963313575	-0.0422857314963	0.0143175809347	0.0854906207152	0.216396453525	0.0172466469748	-0.00580102530254	0.239673120353	0.0197920196675	0.481097502795	-27.247	31.367	-30.354
16	7.13442805793	1.34656637932	-1.67423006279	1.76017484851	1.39613152135	3.02166167448	-0.305875225428	0.0208619126878	-0.943115990286	0.0597932326709	0.147032584287	-0.0883454979995	0.228197103951	0.202449271495	0.115612980664	0.286134659019	0.0397225286802	-0.0231894774385	0.303581568399	0.0209215593339	0.430098028241	-30.809	26.262	-37.289
17	8.875702659	2.93641757102	2.46125766056	5.05365741763	2.03519901913	4.00637794023	0.177379443259	-0.620735367156	0.94977405009	0.312165942827	-0.0858159659238	-0.382048555195	-0.189427748817	0.136468017855	-0.0832822731722	0.325554051361	-0.00159542036605	0.0564634380955	0.341357497482	-0.0896548131664	0.585835000338	-34.379	33.86	-10.32
18	3.4328190733	-0.0656762029268	-1.66400918564	2.49402401708	-0.284969547276	3.2022843925	-0.0478380368589	0.327253612534	-0.326547219183	-0.106248125008	-0.0418386985877	0.265306102027	0.2036593516	-0.088315602361	0.0821479652068	0.233730461292	0.00152699431173	-0.0473977659639	0.25446639497	0.0113338693519	0.497043220019	-41.13	15.259	-28.375
19	7.08305226909	4.28396695822	4.73575220388	7.28065725432	5.76646655286	8.83674267711	-0.0685626726231	-0.107710159707	0.0745206355777	0.676461369981	-0.0958681416002	0.831871451836	0.646617567214	-0.102825217165	0.249726583555	0.354481188441	0.0290610129661	0.0687828485698	0.250473296488	0.0499401781036	0.574964483009	-42.754	19.532	-15.709
20	5.03297384468	0.462480912399	0.322678637092	9.20180902419	4.38760401046	6.93603924149	-0.166446684139	-1.51297042999	-0.695656627111	1.76563859632	0.471114861219	-0.577892189803	0.662253992386	0.138504462703	-0.331509785833	0.516149273136	0.0230955549128	-0.143245370096	0.697378401553	0.253529531718	0.529722649875	-31.554	15.307	-7.504
21	7.16660698532	0.976327182032	-1.13778070062	1.22168805173	-0.517108711179	2.08350889386	-0.759047096205	-0.758521564368	-1.33605043643	0.425101636498	0.778218928702	0.574361568917	1.78857601688	0.0851285464838	-0.0186323777674	0.685973801987	0.0240237478159	0.0902513954734	0.478491307694	0.150618508899	0.968905384793	-30.407	6.395	-18.755
22	2.90426856229	-1.92883028345	0.147191376541	2.106124213	-1.1111096273	2.36956649703	-0.0573727785075	0.0370987633129	0.416423242979	0.303917282964	0.0213420506107	-0.231501237422	-0.146356600866	-0.0965802447314	0.0625524907413	0.197691110491	-0.0222709204839	-0.0295403228448	0.248198880679	-0.00347594986591	0.519860686015	-34.18	26.85	-23.187
23	4.8827285422	-1.85347902746	1.24246585049	7.96988386218	-5.67177281484	6.93736967838	-0.052059504549	-0.454109865477	0.561946349438	0.0904498520782	0.196600900892	-0.233353884267	0.0919215544167	-0.179727601558	-0.141295618701	0.218239550569	-0.0236032757913	-0.043942783106	0.248272603717	-0.0501434628473	0.38763808156	-29.37	29.063	-16.134
24	3.50128135656	-1.99496784999	0.0771088687208	4.25281468579	-5.78378987233	2.00211593413	0.023009159438	-0.679690480768	-0.675210383019	-0.59214788932	1.02665250059	0.710724053304	1.54978885934	0.41966383637	-0.995387175894	1.20505532399	-0.104077273111	-0.224768054192	0.70197945155	-0.0153503224185	1.147270623	-23.535	11.567	-11.154
25	3.78713364385	-1.29782119735	-2.51603146725	3.13556485931	-0.567221514409	4.19065394992	-0.0860351735621	0.909494763928	-0.846063182455	-0.427078702236	0.128092861088	-0.0119421565236	0.690579647445	-0.198178483434	-0.055577083208	0.41870173738	-0.0184309492088	0.019664366267	0.228378927648	-0.133326015066	0.0366885163275	-24	-0.952	-36.326
26	5.63334379035	-0.125590001727	5.47337987318	1.8837183224	-0.688974155078	5.50313193656	-0.589845293641	-0.114934697826	1.46326331002	0.482644410498	0.0499931162759	-0.411504179026	-0.280399905773	0.49567731554	0.567955749029	0.39875595129	-0.0357683010037	-0.0665985192339	0.363663153811	-0.014125853596	0.53983731372	-2.649	21.99	-17.024
27	7.84907806299	-4.05436687797	4.64319243434	3.25691131429	-1.90331032643	3.20215732458	-0.264173312226	0.3087701684	0.59101216063	0.060296392517	0.0215108676867	-0.500861376124	-1.0218207594	0.45686416657	0.23961449459	0.329299114508	-0.0432249132492	-0.0604896427816	0.306915619492	0.0367277789015	0.613337928295	-16.033	36.062	-36.036
28	3.73756752568	2.19885372628	-1.23183724832	4.09027240347	2.3367499902	3.7695479983	0.188720898715	-0.0119407034961	-1.1615794206	0.380386255549	-0.204484845488	0.175839795771	0.620650931142	-0.524653153956	-0.0766685975091	0.419093774315	-0.0421113144819	-0.0276664343052	0.341363456163	0.00904331244935	0.46703181113	-37.425	12.9	-17.386

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 1:15 )	A	1 - 15
2	X-RAY DIFFRACTION	2	( CHAIN A AND RESID 16:42 )	A	16 - 42
3	X-RAY DIFFRACTION	3	( CHAIN A AND RESID 43:88 )	A	43 - 88
4	X-RAY DIFFRACTION	4	( CHAIN A AND RESID 89:138 )	A	89 - 138
5	X-RAY DIFFRACTION	5	( CHAIN B AND RESID 1:57 )	B	1 - 57
6	X-RAY DIFFRACTION	6	( CHAIN B AND RESID 58:75 )	B	58 - 75
7	X-RAY DIFFRACTION	7	( CHAIN B AND RESID 76:94 )	B	76 - 94
8	X-RAY DIFFRACTION	8	( CHAIN B AND RESID 95:121 )	B	95 - 121
9	X-RAY DIFFRACTION	9	( CHAIN B AND RESID 122:141 )	B	122 - 141
10	X-RAY DIFFRACTION	10	( CHAIN B AND RESID 142:146 )	B	142 - 146
11	X-RAY DIFFRACTION	11	( CHAIN C AND RESID 1:20 )	C	1 - 20
12	X-RAY DIFFRACTION	12	( CHAIN C AND RESID 21:43 )	C	21 - 43
13	X-RAY DIFFRACTION	13	( CHAIN C AND RESID 44:75 )	C	44 - 75
14	X-RAY DIFFRACTION	14	( CHAIN C AND RESID 76:94 )	C	76 - 94
15	X-RAY DIFFRACTION	15	( CHAIN C AND RESID 95:112 )	C	95 - 112
16	X-RAY DIFFRACTION	16	( CHAIN C AND RESID 113:138 )	C	113 - 138
17	X-RAY DIFFRACTION	17	( CHAIN D AND RESID 1:19 )	D	1 - 19
18	X-RAY DIFFRACTION	18	( CHAIN D AND RESID 20:57 )	D	20 - 57
19	X-RAY DIFFRACTION	19	( CHAIN D AND RESID 58:76 )	D	58 - 76
20	X-RAY DIFFRACTION	20	( CHAIN D AND RESID 77:94 )	D	77 - 94
21	X-RAY DIFFRACTION	21	( CHAIN D AND RESID 95:99 )	D	95 - 99
22	X-RAY DIFFRACTION	22	( CHAIN D AND RESID 100:121 )	D	100 - 121
23	X-RAY DIFFRACTION	23	( CHAIN D AND RESID 122:141 )	D	122 - 141
24	X-RAY DIFFRACTION	24	( CHAIN D AND RESID 142:146 )	D	142 - 146
25	X-RAY DIFFRACTION	25	( CHAIN A AND ( RESID 201:201 OR RESID 309:309 ) )	A	201
26	X-RAY DIFFRACTION	25	( CHAIN A AND ( RESID 201:201 OR RESID 309:309 ) )	A	309
27	X-RAY DIFFRACTION	26	( CHAIN B AND ( RESID 201:201 OR RESID 305:305 ) )	B	201
28	X-RAY DIFFRACTION	26	( CHAIN B AND ( RESID 201:201 OR RESID 305:305 ) )	B	305
29	X-RAY DIFFRACTION	27	( CHAIN C AND ( RESID 201:201 OR RESID 301:301 ) )	C	201
30	X-RAY DIFFRACTION	27	( CHAIN C AND ( RESID 201:201 OR RESID 301:301 ) )	C	301
31	X-RAY DIFFRACTION	28	( CHAIN D AND ( RESID 201:201 OR RESID 302:302 ) )	D	201
32	X-RAY DIFFRACTION	28	( CHAIN D AND ( RESID 201:201 OR RESID 302:302 ) )	D	302

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