PDB-9az2: Crystal structure of PF3257 peroxidase from Pseudomonas fluorescens

Basic information

• Entry: Database: PDB / ID: 9az2
• Title: Crystal structure of PF3257 peroxidase from Pseudomonas fluorescens
• Components: Deferrochelatase
• Keywords: OXIDOREDUCTASE / FERRIDOXIN-LIKE

Function / homology

Function:

ferrochelatase activity / iron import into cell / Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases / peroxidase activity / periplasmic space / heme binding / metal ion binding / cytosol

Domain/homology:

Deferrochelatase / : / : / Dyp-type peroxidase, C-terminal / Dyp-type peroxidase, N-terminal / DyP-type peroxidase family. / Dyp-type peroxidase / Dimeric alpha-beta barrel / Twin arginine translocation (Tat) signal profile. / Twin-arginine translocation pathway, signal sequence

Component:

PROTOPORPHYRIN IX CONTAINING FE / OXYGEN MOLECULE / Deferrochelatase

• Biological species: Pseudomonas fluorescens (bacteria)
• Method: X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.52 Å
• Authors: Stogios, P.J. / Skarina, T. / Choolaei, Z. / Yakunin, A. / Savchenko, A.

Funding support

1items

Organization	Grant number	Country
Not funded

• Citation: Journal: Acs Chem.Biol. / Year: 2025; Title: Structural and Biochemical Insights into Lignin-Oxidizing Activity of Bacterial Peroxidases against Soluble Substrates and Kraft Lignin.; Authors: Choolaei, Z. / Khusnutdinova, A.N. / Skarina, T. / Stogios, P. / Diep, P. / Lemak, S. / Edwards, E.A. / Savchenko, A. / Yakunin, A.F.

History

Deposition	Mar 9, 2024	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jan 15, 2025	Provider: repository / Type: Initial release
Revision 1.1	Jul 30, 2025	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.journal_volume / _citation.page_first / _citation.page_last / _citation.pdbx_database_id_DOI / _citation.pdbx_database_id_PubMed / _citation.title / _citation.year

Assembly

Deposited unit

A: Deferrochelatase

B: Deferrochelatase

C: Deferrochelatase

D: Deferrochelatase

E: Deferrochelatase

F: Deferrochelatase

G: Deferrochelatase

H: Deferrochelatase

I: Deferrochelatase

J: Deferrochelatase

K: Deferrochelatase

L: Deferrochelatase

hetero molecules

Summary:

• 530 kDa, 12 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	530,273	36
Polymers	522,491	12
Non-polymers	7,782	24
Water	28,698	1593

1

A: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

2

B: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

3

C: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

4

D: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

5

E: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

6

F: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

7

G: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

8

H: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

9

I: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

10

J: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

11

K: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
Water	18	1

Symmetry operations:

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

12

L: Deferrochelatase

hetero molecules

Summary:

• defined by author
• 44.2 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	44,189	3
Polymers	43,541	1
Non-polymers	648	2
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)	78.334, 114.747, 143.717
Angle α, β, γ (deg.)	83.310, 77.440, 86.260
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

Components

#1: Protein

A B C D E F G H I J K L
Deferrochelatase / Peroxidase EfeB

Details:

Mass: 43540.930 Da / Num. of mol.: 12
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Pseudomonas fluorescens (strain ATCC BAA-477 / NRRL B-23932 / Pf-5) (bacteria)
Strain: ATCC BAA-477 / NRRL B-23932 / Pf-5 / Gene: efeB, PFL_3257 / Production host: Escherichia coli BL21(DE3) (bacteria)
References: UniProt: Q4KBM1, Oxidoreductases; Acting on a peroxide as acceptor; Peroxidases

#2: Chemical

A-501 B-501 C-501 D-501 E-501 F-501 G-501 H-501 I-501 J-501 K-501 L-501
ChemComp-HEM / PROTOPORPHYRIN IX CONTAINING FE / HEME

Details:

Mass: 616.487 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₃₄H₃₂FeN₄O₄ / Feature type: SUBJECT OF INVESTIGATION

#3: Chemical

A-502 B-502 C-502 D-502 E-502 F-502 G-502 H-502 I-502 J-502 K-502 L-502
ChemComp-OXY / OXYGEN MOLECULE

Details:

Mass: 31.999 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: O₂ / Feature type: SUBJECT OF INVESTIGATION

#4: Water

ChemComp-HOH / water

Details:

Mass: 18.015 Da / Num. of mol.: 1593 / Source method: isolated from a natural source / Formula: H₂O

• Has ligand of interest: Y
• Has protein modification: N

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 2.39 ų/Da / Density % sol: 48.64 %
• Crystal grow: Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 5.5 ; Details: 15 mg/mL protein, 0.1 M Bis-Tris pH 5.5, 0.2 M magnesium chloride, 25% w/v PEG 3350, cryoprotectant: paratone

Data collection

• Diffraction: Mean temperature: 100 K / Serial crystal experiment: N
• Diffraction source: Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å
• Detector: Type: RIGAKU RAXIS IV / Detector: IMAGE PLATE / Date: Jul 2, 2019
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 1.5418 Å / Relative weight: 1
• Reflection: Resolution: 2.52→25 Å / Num. obs: 158500 / % possible obs: 96.8 % / Redundancy: 3 % / B_iso Wilson estimate: 31.2 Ų / R_merge(I) obs: 0.185 / R_pim(I) all: 0.13 / Net I/σ(I): 5.5
• Reflection shell: Resolution: 2.52→2.56 Å / Redundancy: 3 % / R_merge(I) obs: 0.759 / Mean I/σ(I) obs: 1.25 / Num. unique obs: 7703 / CC_1/2: 0.525 / R_pim(I) all: 0.525 / % possible all: 94.9

Processing

Software

Name	Version	Classification
PHENIX	1.20_4459	refinement
HKL-3000		data reduction
HKL-3000		data scaling
PHASER		phasing
Coot		model building

Refinement

Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.52→19.99 Å / SU ML: 0.3162 / Cross valid method: FREE R-VALUE / σ(F): 1.15 / Phase error: 26.1775
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	Rfactor	Num. reflection	% reflection
Rfree	0.2519	1999	1.26 %
Rwork	0.1975	156501	-
obs	0.1982	158500	96.99 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso mean: 38.62 Ų

Refinement step

Cycle: LAST / Resolution: 2.52→19.99 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	36368	0	540	1593	38501

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0025	37828
X-RAY DIFFRACTION	f_angle_d	0.5444	51554
X-RAY DIFFRACTION	f_chiral_restr	0.0396	5458
X-RAY DIFFRACTION	f_plane_restr	0.004	6952
X-RAY DIFFRACTION	f_dihedral_angle_d	17.7442	14196

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.52-2.58	0.309	140	0.2561	10910	X-RAY DIFFRACTION	95.05
2.58-2.65	0.3103	140	0.2543	11035	X-RAY DIFFRACTION	95.32
2.65-2.73	0.3417	142	0.2607	11016	X-RAY DIFFRACTION	95.65
2.73-2.82	0.317	140	0.2479	11061	X-RAY DIFFRACTION	95.92
2.82-2.92	0.2643	142	0.2376	11065	X-RAY DIFFRACTION	96.19
2.92-3.04	0.2787	143	0.2412	11134	X-RAY DIFFRACTION	96.47
3.04-3.17	0.3325	142	0.2396	11158	X-RAY DIFFRACTION	96.79
3.17-3.34	0.3328	143	0.2284	11185	X-RAY DIFFRACTION	96.96
3.34-3.55	0.2677	144	0.2034	11247	X-RAY DIFFRACTION	97.38
3.55-3.82	0.2283	143	0.188	11203	X-RAY DIFFRACTION	97.72
3.82-4.2	0.2219	144	0.1696	11308	X-RAY DIFFRACTION	98.03
4.2-4.8	0.2101	145	0.1481	11363	X-RAY DIFFRACTION	98.43
4.8-6.02	0.1809	146	0.1644	11406	X-RAY DIFFRACTION	98.79
6.02-19.99	0.1903	145	0.1499	11410	X-RAY DIFFRACTION	99.15

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	0.9971922021	-0.672505911871	0.47201622789	2.12324214535	-0.000551870989113	1.48490309086	-0.0533998080286	0.443072920352	0.0319463670122	-0.165030339223	-0.0659531227066	0.0174535371913	-0.0960629070267	0.261061567956	0.113371412359	0.294401523465	-0.116588426691	0.0160058332893	0.548124041076	-0.0138980828028	0.26583152818	-8.67786520751	-35.2865061802	7.05782941325
2	1.63207213724	-0.523782566719	0.00905706637864	1.95675523839	0.363964003568	2.91912745822	-0.0379102411471	-0.110167511829	0.0864140984924	-0.215316533248	-0.0296027118488	0.149190126757	0.0431987062644	0.259567782601	0.0315604175011	0.200417612462	-0.0887502340545	-0.0213352664812	0.461162615687	-0.0480796726503	0.276182504823	-9.62508461606	-36.6256304018	18.5928582418
3	1.24016397465	0.0733440089186	0.114534773122	0.88896999509	0.271613379098	1.98814403555	-0.0988579382445	0.00606672667674	-0.00804723911284	0.00661319434933	-0.0664982419665	0.29112491834	-0.049080713601	-0.407318633052	0.15887345286	0.237137921903	-0.0322160637813	-0.00187549738561	0.471700897839	-0.0453773060137	0.372600622756	-24.8227892229	-30.8177297163	21.6726673808
4	0.71429851359	0.0949267676756	-0.476927459	0.535508312839	0.197701397116	1.29822194698	-0.145360546541	0.53840487545	-0.159781010826	-0.0803647976976	0.0891494273386	0.0136106326248	0.160897394786	0.0310563269874	0.0356262395368	0.305148887854	-0.0700626466184	-0.0163930489491	0.653877259319	-0.0785591701026	0.278600326206	-30.464349315	-12.1824766615	-105.479481926
5	6.72111765207	0.492133477897	0.87470680788	6.17457385031	1.54449494654	6.33226703177	0.0084215920684	0.354644571857	0.965095014933	-0.281643684376	-0.0532157982553	0.423520337586	-1.06831559612	-0.0467965610467	0.0724655737662	0.361612778153	0.0858265291165	0.0142412675729	0.587689705402	0.0431536645326	0.298420234653	-27.1937533367	6.40834338322	-86.0796619154
6	0.854415530896	0.206754953139	-0.600287449955	1.06885004251	0.199418952598	2.24550208793	-0.081432505844	0.114907971068	0.0266467136636	-0.02098322024	0.0930442747809	-0.0505628127585	-0.18118752099	0.401743526616	-0.0136090345977	0.214643487306	0.0189926525668	-0.0457148709799	0.537463255308	-0.0422488026276	0.301049613464	-15.2890491147	-2.17146441861	-89.0472496363
7	1.41912907854	0.0191656676382	-0.174150409382	0.805579256961	0.121676490789	2.57657458212	-0.165554815806	0.278350959468	-0.0667011075054	-0.0357328260293	0.145140698593	-0.104141852559	-0.0940599477443	0.368822062103	-0.00868254297874	0.252082020852	0.0222688145949	-0.00916688951453	0.556505247227	-0.0762225772981	0.287242214927	-14.4571990253	-8.93013845186	-92.8920000632
8	7.6530425233	1.53916319528	4.76815039814	1.16746519858	0.8635743078	4.89811767886	0.934429767597	0.354878347802	-0.156217254136	0.438588691149	-0.515039017183	-0.124599164461	0.67118107855	-0.259953803146	-0.377134341226	0.427192430699	0.118548330202	0.0501090833796	0.100229745673	0.0519400383195	0.295657200152	-63.0292170261	-59.8295842616	-25.0572541318
9	1.40280196866	-0.869586165808	1.00995555266	2.08136846941	0.561473067096	3.62065719739	0.0839386239696	-0.287313395639	0.751696219439	0.411762203012	-0.364040995422	0.245976190797	-0.112659600277	-0.136444945384	0.236761349615	0.33447357245	-0.106559135074	0.0670428393363	0.275993988089	-0.0771453352316	0.565775896603	-54.6936241675	-38.8451182368	-14.709709204
10	0.939273210624	2.11649741802	2.14000214426	7.67076813395	4.57297206777	4.85008500349	0.12045182081	-1.24467999407	0.762082113443	1.06451782147	-0.278390534856	1.03325684071	0.33369169137	-0.266843397292	0.214799907678	0.427411030901	-0.196144192938	0.13509787126	0.678139768476	-0.280229600138	0.642189893018	-60.4514241146	-40.0465765434	-4.25730148623
11	1.05865646083	0.989285863958	0.247292566378	1.38902107079	0.513947803118	2.08828796077	0.20148807187	-0.510159563918	0.818589022818	0.0854881317369	-0.29819870326	0.397245517402	-0.252138003777	-0.119784423225	0.0343098881273	0.369459062047	-0.00272810053328	0.103192619725	0.278792735459	-0.149774342251	0.667587887974	-60.1185238247	-35.8869506451	-12.856062596
12	2.20367902297	0.786820258173	0.159874365163	0.893149317944	0.652175609331	1.80056210535	0.0268760416929	-0.146045401955	0.50852364548	0.00479999438441	-0.0486405909568	0.0679154512009	-0.101468084194	0.150842944324	0.0120718694705	0.31366303883	-0.00946931563511	0.0189018201795	0.135482895322	0.0091799330732	0.480342120077	-51.6490952079	-37.3901773729	-25.9373928166
13	4.36864780196	0.254225237197	4.14732671588	2.15784787206	2.02756431778	5.39950002216	0.262539117311	-0.135187831846	-0.459391657867	-0.424778687414	0.0604935711283	-0.687446296601	0.308353692061	0.199936382565	-0.280081360655	0.377969578556	-0.00038809068072	0.0408271418472	0.26928451994	0.115574750408	0.493494568884	-34.1962798367	-39.815383475	-41.3712257618
14	2.36946359232	1.52797050747	-1.71812787594	4.72884628792	-2.36212689209	3.12824328086	0.246919156154	-0.275749472135	0.481296549541	-0.189195993838	-0.171524088631	-0.348472034284	-0.275266878442	0.528679853721	-0.0994422963635	0.371559813655	-0.111341589058	0.00665509022586	0.344013311213	-0.00137340630419	0.558685279889	-35.5374560996	-30.2821500497	-34.4790231319
15	1.73053480109	0.290912043515	-0.455102999264	1.42120986241	0.0319430232189	1.81985980235	-0.0345576012857	0.260583271527	0.693964879524	-0.130582318174	0.136204797426	0.276124908149	-0.345679280523	0.17832097329	-0.0536764432418	0.370644561203	-0.0135663841436	-0.0199592337827	0.177049885894	0.0480737484463	0.613448967798	-51.8225692374	-29.9223264867	-30.8367396866
16	2.30324128529	0.310321171405	-0.341989827177	1.53495650508	-1.17580029775	7.26151664427	0.178795750189	-0.554714372954	0.583636027084	0.287925695003	0.00821650887549	0.118292786231	-0.609969905746	0.21773299249	-0.180043392938	0.299735171648	-0.0680930421277	0.0959196539497	0.305559596706	-0.111976365127	0.642504423735	-51.4004368694	-32.1801995244	-13.6852095868
17	0.908798274464	0.180236392343	-0.369415294355	0.669127048031	0.473478538351	1.40430147698	0.0737663712308	0.108990989992	-0.180525863019	0.0796913768543	0.0161109470867	-0.193530324687	0.262762972551	0.20468899278	-0.0766746830429	0.347688881026	0.097774940675	-0.100064623793	0.215792954717	-0.0127213095113	0.341182670946	-13.4815799227	-5.11597455861	-38.7243446721
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53	2.52587168827	0.952206788747	1.0626106105	1.65675129188	0.787282937155	2.16204417903	-0.0269883633366	-0.207317329381	-0.15489105437	0.276320966337	0.0574535843712	0.224447553416	0.486602531815	-0.29689762774	-0.0313952452332	0.335263329124	0.0427233230966	0.0342272542408	0.322874460645	-0.00432596922268	0.24439852503	-49.0548101415	-17.2652587965	-75.1275653421
54	1.63576835108	-0.337945394095	-0.0691911773525	0.953020944282	-0.00317434156221	1.93366679897	-0.107255214778	0.146251413471	0.0296634375666	0.0389844782038	-0.0169399623679	0.104654034435	0.158657473183	-0.283756265285	0.121404806647	0.23348454912	-0.0544559581053	0.0149252338672	0.38900039979	-0.041583783699	0.25376556221	-51.4028195691	-11.3367397993	-87.5776565663
55	4.78614654396	0.849946428103	0.718241306786	3.04569918664	0.522562991113	0.448118160246	-0.188265882112	0.335991076659	-0.0240025340663	-0.165286651102	0.19865973651	0.437283764784	0.198006827696	-0.326181853823	-0.0178382810018	0.275445509871	-0.0760890233722	-0.0214425320667	0.650768438132	-0.0778998683453	0.377558457948	-67.2214517199	-15.0868672424	-101.222224884
56	1.92815859691	0.0858059661895	0.218255027538	1.48567551851	1.42736918908	4.23941642046	-0.120967129538	0.0988629614271	-0.167248650239	0.181275636867	0.00864204438462	0.171916420946	0.259488008952	-0.428450505826	0.0808665179634	0.251312955202	0.0127833135613	-0.0299932842736	0.373522871413	0.0187932175373	0.264551103964	-52.9499350011	-17.0806906807	-82.8117863295
57	0.968334546248	-0.367267285116	0.673034364026	0.855242669909	0.153293486458	1.22484674188	-0.0531571373513	-0.288651114511	0.126199614975	0.117018800147	0.00746540083105	0.0514615168815	-0.185573586039	-0.0199907577123	0.0337063458853	0.292252843558	-0.0461993456462	0.0587896566678	0.540743475102	-0.0768769113879	0.276967120414	-31.0135527306	-49.6789288704	-95.8451467838
58	1.85717070073	0.443490424847	0.208948861848	2.88756330909	1.44691518897	1.95182141896	-0.0870021898313	-0.248975853697	0.1863430956	0.169782433335	0.12831276963	0.113430346534	0.0409231331549	0.0654344963112	-0.0662769771456	0.32069135768	-0.0125194844756	-0.0142139069732	0.596502654386	-0.0553397181026	0.267137711982	-31.1078127859	-44.6911532849	-101.643621493
59	5.60911688493	-5.83957481947	1.7836661906	6.26285417485	-2.87454909998	5.90349933485	0.0111270748274	0.160829557836	-0.628787989206	0.0238741275347	0.0954386860674	0.464256235995	0.409015234075	-0.28874228861	-0.111952870476	0.380227098383	-0.124639205571	0.0684241064378	0.556525085327	-0.0758538080181	0.335740082384	-25.411763395	-65.9082880294	-116.243855591
60	1.32707001038	-0.00369432150277	0.659345581576	1.09396690041	0.428947277591	1.35615950526	-0.0271518640575	0.187873346138	-0.0793474867867	-0.0176322595922	0.0314914222681	-0.217242647104	0.0563554078042	0.241597944598	-0.00593605589322	0.245125727593	-0.0589050312349	0.0649917758126	0.652165984552	-0.00790917615888	0.341374445194	-14.0761384374	-59.491422883	-111.308416621
61	0.907739095904	-0.392801589011	0.314807977465	0.953214922529	0.694380435987	1.03511531625	-0.123606456451	0.192362817515	-0.0448146701866	0.0161955332623	0.0670209195746	-0.168759724918	0.0200274664408	0.369775559791	0.0277862748822	0.278713902135	-0.0729597941598	0.029025724565	0.630723306516	-0.0121807907866	0.340487880756	-13.6074736759	-52.5737317212	-107.950090028
62	0.43541025477	-0.392729814813	0.341770500009	0.342395591868	-0.0566430928175	0.921789835363	0.225954253194	-1.15770508191	0.2410144094	0.0623609335383	-0.118676988829	-0.0603257270812	-0.0461215170068	0.190864800456	-0.109483700574	0.329840994984	-0.149783981328	0.0632743232782	0.828149927403	-0.145428687039	0.304829944888	-86.6574199201	-86.7903253296	18.5903817004
63	0.395308160132	0.422482323625	0.473771883292	3.0020361506	0.31546128656	0.606360121421	-0.012546953465	-0.860142020025	0.0918577829146	0.226460895265	0.0246356897074	0.222058795992	-0.156213258978	0.0666149032832	0.0084535765711	0.3255506902	-0.149866466993	0.0361836540351	0.785784698371	-0.0686088694214	0.252834181031	-92.3078785546	-84.1843949393	23.6068742472
64	1.10194166645	0.181540005322	-0.0596603718475	0.91587886734	0.0571098869221	0.336782510109	0.293550666057	-0.478012662029	0.794797567842	0.164882506286	-0.0635568955873	0.0310609481152	-0.323333322672	0.154192533685	-0.141382297121	0.395878184211	-0.21299081751	0.112552437315	0.684174134328	-0.146761223114	0.496275966106	-73.8572501172	-74.2327400543	10.883539332
65	1.73092002563	0.64085075321	0.0112266596747	1.83146256982	1.32146945207	4.58977084671	0.329621394793	-0.589647903663	0.188701677055	0.0837617937359	-0.0249699542427	-0.201643090034	-0.0106993431316	0.116877195727	-0.278126742364	0.215244550808	-0.0475376481854	0.0203021681897	0.410793150385	-0.0423179800886	0.252381627617	-89.0693631709	-85.0096409703	8.63737349543
66	2.87300562091	-0.128662004641	1.99817490523	1.36467493853	-0.754722164486	3.20198538946	0.256829958746	-0.0963603698892	-0.102221840909	-0.0458259181134	-0.0459698809695	-0.0452155933397	0.0985444157567	0.469951679952	-0.170978830808	0.206568525706	-0.0173170358274	0.0596706987072	0.425146137775	-0.0431974276486	0.215310425823	-75.7640087856	-86.5888524306	-1.27468110334
67	2.7038813914	-0.141645029714	-1.19628559459	1.93132038294	0.0739674079273	0.871370800994	0.116925683236	-0.159633361697	0.116763409596	0.144098971155	-0.0202349022532	-0.208410570731	0.0230947889841	0.172381056018	-0.0891883815967	0.32875204718	0.0120580852085	0.0198974594338	0.4017970849	-0.0233220097885	0.210981565054	-72.8725640888	-92.7079748212	-16.1140601479
68	6.20107931385	-0.481880217153	1.26509982547	2.38166493274	-1.12474109055	2.57892417684	0.0829804533336	-0.022051690987	0.561989437982	-0.147154166637	-0.0831906063648	-0.130975689761	0.123678839725	0.295220951748	-0.0114342365222	0.329238419707	-0.0897692336702	0.0604234317254	0.455646635073	-0.131247267016	0.255994699662	-76.8648418008	-80.7708869009	-2.05014479865
69	0.440582529378	-0.624493994586	0.921814436965	1.49326819516	-0.681586068447	2.65362366301	0.413983258199	-0.506100185506	0.381695424124	0.365879417372	0.0658017702339	-0.0701238365974	-0.18772472969	0.146696933982	-0.246711292957	0.344780201294	-0.218044612092	0.0276767491669	0.874396061335	-0.152389422173	0.402065937913	-73.834855231	-81.5432478121	13.8350835298
70	0.741864152173	0.0364196128753	1.33813863602	0.26212020095	-0.0934547040026	3.29602683393	0.0333135140002	0.38855052011	-0.0924346761081	-0.127273091937	-0.139632596372	0.0261175898211	0.00911945665604	0.365256645946	0.0960723797256	0.265861772705	-0.0575306891186	0.0229388449561	0.503699228238	-0.0480003437863	0.327957992183	-8.18882015331	-43.7830755196	10.8803289804

Refinement TLS group

Refine-ID: X-RAY DIFFRACTION

ID	Refine TLS-ID	Selection details	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	chain 'I' and (resid 69 through 131 )	I	I	69 - 131	69 - 131
2	2	chain 'I' and (resid 132 through 197 )	I	I	132 - 197	132 - 197
3	3	chain 'I' and (resid 198 through 392 )	I	I	198 - 392	198 - 392
4	4	chain 'J' and (resid 1 through 177 )	J	J	1 - 177	1 - 177
5	5	chain 'J' and (resid 178 through 197 )	J	J	178 - 197	178 - 197
6	6	chain 'J' and (resid 198 through 280 )	J	J	198 - 280	198 - 280
7	7	chain 'J' and (resid 281 through 392 )	J	J	281 - 392	281 - 392
8	8	chain 'K' and (resid 1 through 20 )	K	K	1 - 20	1 - 20
9	9	chain 'K' and (resid 21 through 48 )	K	K	21 - 48	21 - 48
10	10	chain 'K' and (resid 49 through 68 )	K	K	49 - 68	49 - 68
11	11	chain 'K' and (resid 69 through 131 )	K	K	69 - 131	69 - 131
12	12	chain 'K' and (resid 132 through 260 )	K	K	132 - 260	132 - 260
13	13	chain 'K' and (resid 261 through 283 )	K	K	261 - 283	261 - 283
14	14	chain 'K' and (resid 284 through 315 )	K	K	284 - 315	284 - 315
15	15	chain 'K' and (resid 316 through 355 )	K	K	316 - 355	316 - 355
16	16	chain 'K' and (resid 356 through 392 )	K	K	356 - 392	356 - 392
17	17	chain 'L' and (resid 2 through 283 )	L	L	2 - 283	1 - 282
18	18	chain 'L' and (resid 284 through 314 )	L	L	284 - 314	283 - 313
19	19	chain 'L' and (resid 315 through 392 )	L	L	315 - 392	314 - 391
20	20	chain 'A' and (resid 3 through 48 )	A	A	3 - 48	1 - 46
21	21	chain 'A' and (resid 49 through 131 )	A	A	49 - 131	47 - 129
22	22	chain 'A' and (resid 132 through 197 )	A	A	132 - 197	130 - 195
23	23	chain 'A' and (resid 198 through 280 )	A	A	198 - 280	196 - 278
24	24	chain 'A' and (resid 281 through 306 )	A	A	281 - 306	279 - 304
25	25	chain 'A' and (resid 307 through 392 )	A	A	307 - 392	305 - 390
26	26	chain 'B' and (resid 2 through 177 )	B	B	2 - 177	1 - 176
27	27	chain 'B' and (resid 178 through 280 )	B	B	178 - 280	177 - 279
28	28	chain 'B' and (resid 281 through 305 )	B	B	281 - 305	280 - 304
29	29	chain 'B' and (resid 306 through 329 )	B	B	306 - 329	305 - 328
30	30	chain 'B' and (resid 330 through 355 )	B	B	330 - 355	329 - 354
31	31	chain 'B' and (resid 356 through 393 )	B	B	356 - 393	355 - 392
32	32	chain 'C' and (resid 3 through 68 )	C	C	3 - 68	1 - 66
33	33	chain 'C' and (resid 69 through 174 )	C	C	69 - 174	67 - 172
34	34	chain 'C' and (resid 175 through 194 )	C	C	175 - 194	173 - 192
35	35	chain 'C' and (resid 195 through 243 )	C	C	195 - 243	193 - 241
36	36	chain 'C' and (resid 244 through 283 )	C	C	244 - 283	242 - 281
37	37	chain 'C' and (resid 284 through 315 )	C	C	284 - 315	282 - 313
38	38	chain 'C' and (resid 316 through 371 )	C	C	316 - 371	314 - 369
39	39	chain 'C' and (resid 372 through 392 )	C	C	372 - 392	370 - 390
40	40	chain 'D' and (resid 1 through 96 )	D	D	1 - 96	1 - 96
41	41	chain 'D' and (resid 97 through 177 )	D	D	97 - 177	97 - 177
42	42	chain 'D' and (resid 178 through 197 )	D	D	178 - 197	178 - 197
43	43	chain 'D' and (resid 198 through 280 )	D	D	198 - 280	198 - 280
44	44	chain 'D' and (resid 281 through 309 )	D	D	281 - 309	281 - 309
45	45	chain 'D' and (resid 310 through 392 )	D	D	310 - 392	310 - 392
46	46	chain 'E' and (resid 2 through 96 )	E	E	2 - 96	1 - 95
47	47	chain 'E' and (resid 97 through 197 )	E	E	97 - 197	96 - 196
48	48	chain 'E' and (resid 198 through 280 )	E	E	198 - 280	197 - 279
49	49	chain 'E' and (resid 281 through 305 )	E	E	281 - 305	280 - 304
50	50	chain 'E' and (resid 306 through 329 )	E	E	306 - 329	305 - 328
51	51	chain 'E' and (resid 330 through 392 )	E	E	330 - 392	329 - 391
52	52	chain 'F' and (resid 2 through 88 )	F	F	2 - 88	1 - 87
53	53	chain 'F' and (resid 89 through 149 )	F	F	89 - 149	88 - 148
54	54	chain 'F' and (resid 150 through 260 )	F	F	150 - 260	149 - 259
55	55	chain 'F' and (resid 261 through 308 )	F	F	261 - 308	260 - 307
56	56	chain 'F' and (resid 309 through 391 )	F	F	309 - 391	308 - 390
57	57	chain 'G' and (resid 2 through 131 )	G	G	2 - 131	1 - 130
58	58	chain 'G' and (resid 132 through 177 )	G	G	132 - 177	131 - 176
59	59	chain 'G' and (resid 178 through 197 )	G	G	178 - 197	177 - 193
60	60	chain 'G' and (resid 198 through 280 )	G	G	198 - 280	194 - 276
61	61	chain 'G' and (resid 281 through 391 )	G	G	281 - 391	277 - 387
62	62	chain 'H' and (resid 2 through 68 )	H	H	2 - 68	1 - 67
63	63	chain 'H' and (resid 69 through 106 )	H	H	69 - 106	68 - 105
64	64	chain 'H' and (resid 107 through 149 )	H	H	107 - 149	106 - 148
65	65	chain 'H' and (resid 150 through 197 )	H	H	150 - 197	149 - 196
66	66	chain 'H' and (resid 198 through 260 )	H	H	198 - 260	197 - 259
67	67	chain 'H' and (resid 261 through 304 )	H	H	261 - 304	260 - 303
68	68	chain 'H' and (resid 305 through 355 )	H	H	305 - 355	304 - 354
69	69	chain 'H' and (resid 356 through 392 )	H	H	356 - 392	355 - 391
70	70	chain 'I' and (resid 1 through 68 )	I	I	1 - 68	1 - 68