PDB-8ebc: Crystal Structure of the Catalytic Domain of the Inosine Monophos...

ID or keywords:

Entry

Database: PDB / ID: 8ebc

Title

Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria monocytogenes in the complex with IMP

Components

Lmo0132 protein

Keywords

OXIDOREDUCTASE / IMPDH / TIM barrel / delta CBS / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / Center for Structural Biology of Infectious Diseases / CSBID

Function / homology

Function and homology information

IMP dehydrogenase activity / GMP biosynthetic process / GTP biosynthetic process / metal ion binding
Similarity search - Function

Biological species

Listeria monocytogenes EGD-e (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.5 Å

Authors

Kim, Y. / Maltseva, N. / Makowska-Grzyska, M. / Osipiuk, J. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID) / Center for Structural Biology of Infectious Diseases (CSBID)

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Listeria monocytogenes in the complex with IMP
Authors: Kim, Y. / Maltseva, N. / Makowska-Grzyska, M. / Osipiuk, J. / Joachimiak, A. / Center for Structural Genomics of Infectious Diseases (CSGID)

History

Deposition	Aug 31, 2022	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 7, 2022	Provider: repository / Type: Initial release
Revision 1.1	Feb 1, 2023	Group: Other / Structure summary / Category: audit_author / pdbx_SG_project / struct_keywords / Item: _struct_keywords.text
Revision 1.2	Oct 25, 2023	Group: Data collection / Refinement description Category: chem_comp_atom / chem_comp_bond / pdbx_initial_refinement_model

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	8ebc.cif.gz	955.9 KB	Display	PDBx/mmCIF format
PDB format	pdb8ebc.ent.gz	661.1 KB	Display	PDB format
PDBx/mmJSON format	8ebc.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	8ebc_validation.pdf.gz	2.3 MB	Display	wwPDB validaton report
Full document	8ebc_full_validation.pdf.gz	2.2 MB	Display
Data in XML	8ebc_validation.xml.gz	70.7 KB	Display
Data in CIF	8ebc_validation.cif.gz	94.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/eb/8ebc ftp://data.pdbj.org/pub/pdb/validation_reports/eb/8ebc	HTTPS FTP

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Related structure data

Related structure data	1pvnS S: Starting model for refinement
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: IDP06331

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#140 - Aug 2011 Rhomboid Protease GlpG similarity (4)

Deposited unit

A: Lmo0132 protein

B: Lmo0132 protein

C: Lmo0132 protein

D: Lmo0132 protein

F: Lmo0132 protein

E: Lmo0132 protein

hetero molecules

261 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Lmo0132 protein

D: Lmo0132 protein

F: Lmo0132 protein

E: Lmo0132 protein

hetero molecules

B: Lmo0132 protein

C: Lmo0132 protein

hetero molecules

defined by author&software
261 kDa, 6 polymers
Search similar-shape structures of this assembly by Omokage search (details)

2

A: Lmo0132 protein

E: Lmo0132 protein

hetero molecules

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

3

A: Lmo0132 protein

D: Lmo0132 protein

hetero molecules

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

4

A: Lmo0132 protein

E: Lmo0132 protein

hetero molecules

B: Lmo0132 protein

C: Lmo0132 protein

hetero molecules

defined by author&software
174 kDa, 4 polymers
Search similar-shape structures of this assembly by Omokage search (details)

5

B: Lmo0132 protein

C: Lmo0132 protein

hetero molecules

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

6

B: Lmo0132 protein

hetero molecules

E: Lmo0132 protein

hetero molecules

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

7

F: Lmo0132 protein

hetero molecules

C: Lmo0132 protein

hetero molecules

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

8

D: Lmo0132 protein

F: Lmo0132 protein

hetero molecules

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

9

D: Lmo0132 protein

F: Lmo0132 protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	78.977, 95.699, 97.604
Angle α, β, γ (deg.)	111.360, 105.170, 107.610
Int Tables number	1
Space group name H-M	P1
Space group name Hall	P1
Symmetry operation	#1: x,y,z

#1: Protein	Lmo0132 protein Mass: 43079.449 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Listeria monocytogenes EGD-e (bacteria) Strain: ATCC BAA-679 / EGD-e / Gene: lmo0132 / Plasmid: pMCSG50 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): gold / References: UniProt: Q8YAJ3
#2: Chemical	ChemComp-IMP / INOSINIC ACID Mass: 348.206 Da / Num. of mol.: 6 / Source method: obtained synthetically / Formula: C₁₀H₁₃N₄O₈P / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₃H₈O₃
#4: Chemical	ChemComp-FMT / FORMIC ACID Mass: 46.025 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: CH₂O₂
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 150 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	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: 2.3 Å³/Da / Density % sol: 46.53 %
Crystal grow	Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6.6 / Details: 0.2 M ammonium formate pH 6.6, 20 % (w/v) PEG

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Data collection

Diffraction	Mean temperature: 100 K / Serial crystal experiment: N
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 19-ID / Wavelength: 0.97915 Å
Detector	Type: DECTRIS PILATUS3 X 6M / Detector: PIXEL / Date: Jun 12, 2014
Radiation	Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97915 Å / Relative weight: 1
Reflection	Resolution: 2.5→50 Å / Num. obs: 78331 / % possible obs: 97.7 % / Redundancy: 2.2 % / B_iso Wilson estimate: 34.94 Å² / R_merge(I) obs: 0.056 / R_pim(I) all: 0.051 / Net I/σ(I): 13.11
Reflection shell	Resolution: 2.5→2.54 Å / Redundancy: 2 % / R_merge(I) obs: 0.426 / Mean I/σ(I) obs: 1.71 / Num. unique obs: 3560 / CC_1/2: 0.784 / % possible all: 88.6

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Processing

Software

Name	Version	Classification
PHENIX	1.20.1_4487	refinement
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
MLPHARE		phasing
Coot		model building

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT
Starting model: PDBID 1PVN

1pvn

Resolution: 2.5→39.88 Å / SU ML: 0.2753 / Cross valid method: FREE R-VALUE / σ(F): 1.98 / Phase error: 25.9549
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2386	3344	4.96 %
R_work	0.194	64037	-
obs	0.1961	67381	83.54 %

Solvent computation

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

Displacement parameters

B_iso mean: 42.68 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→39.88 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	15775	0	150	150	16075

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.002	16249
X-RAY DIFFRACTION	f_angle_d	0.4274	21944
X-RAY DIFFRACTION	f_chiral_restr	0.0407	2428
X-RAY DIFFRACTION	f_plane_restr	0.004	2810
X-RAY DIFFRACTION	f_dihedral_angle_d	13.6468	5934

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 (%)
2.5-2.53	0.3484	51	0.2654	1062	X-RAY DIFFRACTION	32.97
2.53-2.56	0.2942	94	0.234	1505	X-RAY DIFFRACTION	47.85
2.56-2.6	0.2847	68	0.2493	1727	X-RAY DIFFRACTION	53.26
2.6-2.65	0.254	104	0.2397	1836	X-RAY DIFFRACTION	57.31
2.65-2.69	0.3137	107	0.243	1943	X-RAY DIFFRACTION	62.42
2.69-2.74	0.2784	111	0.2528	2163	X-RAY DIFFRACTION	66.8
2.74-2.79	0.299	145	0.2435	2248	X-RAY DIFFRACTION	71.35
2.79-2.85	0.2978	133	0.24	2441	X-RAY DIFFRACTION	76.15
2.85-2.91	0.2917	146	0.2486	2568	X-RAY DIFFRACTION	80.99
2.91-2.98	0.3053	155	0.2391	2758	X-RAY DIFFRACTION	86.8
2.98-3.05	0.3111	179	0.2564	2873	X-RAY DIFFRACTION	90.46
3.05-3.14	0.2873	166	0.2314	3005	X-RAY DIFFRACTION	94.88
3.14-3.23	0.2893	172	0.2161	3071	X-RAY DIFFRACTION	97.77
3.23-3.33	0.2444	189	0.2175	3170	X-RAY DIFFRACTION	98.59
3.33-3.45	0.2715	186	0.2131	3138	X-RAY DIFFRACTION	98.72
3.45-3.59	0.2564	189	0.2027	3143	X-RAY DIFFRACTION	98.81
3.59-3.75	0.2481	127	0.1845	3193	X-RAY DIFFRACTION	98.63
3.75-3.95	0.2266	120	0.178	3179	X-RAY DIFFRACTION	99.13
3.95-4.2	0.2161	126	0.1681	3214	X-RAY DIFFRACTION	98.93
4.2-4.52	0.1654	128	0.1518	3199	X-RAY DIFFRACTION	99.05
4.52-4.98	0.2074	157	0.1493	3170	X-RAY DIFFRACTION	99.11
4.98-5.7	0.188	164	0.162	3173	X-RAY DIFFRACTION	99.2
5.7-7.17	0.1933	146	0.1856	3189	X-RAY DIFFRACTION	99.32
7.17-39.88	0.1873	181	0.1707	3069	X-RAY DIFFRACTION	96.93

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	3.96000058672	-0.450065381822	-1.15461074377	2.0426093522	0.620022291833	1.32415130628	-0.190717869725	0.236768375866	-0.271158803383	0.0887288432089	-0.250837896398	0.440728491399	0.0429885430005	0.103910834282	0.313103180561	0.266660667906	-0.0445142031047	-0.0521060293441	0.398460460809	-0.0305970971407	0.221493104886	14.2936570597	6.57459447882	7.94310778383
2	1.45727810422	-0.24112294923	0.203364252397	2.29960833926	-0.132204162571	1.53038772999	0.0737728087014	-0.0165969252994	0.00552095510752	-0.0966632022537	-0.151170592494	0.0490438589926	-0.138950514997	-0.0379328985362	0.0694106243715	0.185919125153	-0.0426059963559	-0.0124213261734	0.155740983588	0.000612609069285	0.0267322759981	24.8722258167	18.9815370351	-8.32330940121
3	1.35943218916	-0.472274918377	0.081781111939	1.4028999453	0.392498976732	1.60583780599	0.0573385100974	-0.306174720212	0.0435074565714	0.348552652468	-0.0615455595666	0.0350932597049	-0.106246724249	0.16382256896	-0.000426146713827	0.213301014348	-0.119047606394	-0.0174462740507	0.277788534175	0.021386150218	0.0996390938279	29.892914593	19.6179521574	6.64983698024
4	4.36383234979	-0.230682528725	0.193027552987	0.750053157244	-0.0730928570547	0.464581730724	-0.34063060395	-0.0784609212126	0.333082420509	-0.204229906534	0.173075110864	-0.105897304241	-0.123449149515	0.180934327566	0.0574928538635	0.330983408338	-0.127722696471	-0.0120375619272	0.463605461622	-0.0727520255151	0.377769420675	-7.84642045228	-10.3549434412	-52.7172387379
5	1.60285060173	1.03379928107	-0.541727678854	1.87861344046	-0.322445196836	2.57772096224	-0.0404370667982	-0.191472552087	0.0261464816043	-0.0339493629372	0.0834279518563	-0.269588682446	-0.0883832188344	0.223214544735	-0.00807202887009	0.20364063715	0.0750398072118	-0.15853914621	0.200067545561	-0.0863056814308	0.154295130006	10.4407709768	-5.72163650285	-30.994245476
6	1.8347783273	0.282054257723	-0.540108935893	1.46441349516	0.165003218606	2.62043322881	-0.000987615952398	0.0790314931391	0.209884995663	-0.0136835919384	-0.0020559199625	0.281614850013	-0.2158366858	-0.335759824296	-0.0719011897476	0.184687412982	0.0767070276827	-0.0832631098654	0.214970064926	-0.0384548627389	0.254415476751	-3.45635554193	-0.71197572136	-32.1326762535
7	1.63299907345	0.322849063465	-0.462164286186	1.61748428575	0.312340892194	1.1630158222	-0.0597531390356	0.0627503475536	-0.132496475848	-0.141922456014	0.118553936026	-0.0510512982174	0.34307575262	-0.0824382158541	-0.0404455085003	0.281021703706	-0.00214439268224	-0.0645541291234	0.190941608868	-0.0667581687646	0.167444212565	5.3453163186	-16.2967226278	-40.2534745223
8	0.215095357315	-0.386615109597	0.29742118019	1.91993777126	0.55349060738	1.38049852277	0.322530436921	-0.716969209328	0.0032442263925	0.358234202401	-0.345377841793	-0.121752833361	-0.103568956093	0.477726581163	0.0236287250953	0.298193102799	-0.0821171625833	0.0184133127729	0.515849141901	0.126008258755	0.606388543145	-26.6596871191	-35.0789920973	-35.0371974597
9	2.99881234135	1.15058203879	0.474982237051	2.22362230901	0.446146727286	1.10455225527	0.0721495191447	-0.393693588075	-0.405154578501	0.842467083137	-0.087094369217	0.418932024013	0.287388623897	-0.62607381728	0.0567304535312	0.422808635987	-0.0993637470017	0.167531186137	0.403470913665	-0.0378776348379	0.391594074095	-36.9768853204	-22.6874369955	-19.1834850198
10	0.984629740078	0.127916638243	-0.474525992618	0.511957419477	-0.588425276473	0.790879811241	0.139211517096	-0.437123952548	0.303261151738	0.446015702322	-0.268693516769	0.541113332148	-0.24672792725	-0.542335192593	-0.125737284385	0.376125412917	-0.0511615257812	0.185774589675	0.607264115768	-0.194667505273	0.452532737245	-41.0198056873	-9.35213196264	-20.4304333521
11	4.06096563009	0.287247885213	0.761485300651	2.28369081776	-1.25065078712	0.910729129855	0.125272990487	-0.450520198301	-0.103989188201	0.0883376704848	-0.256960328592	0.0821771396723	-0.0746355753373	-0.0690921412971	0.159295991611	0.484681764495	-0.0996860536449	0.043055436064	0.386361347317	-0.142083821304	0.323253176374	-25.411223053	-9.46588153133	-17.228450179
12	3.66571712361	0.344011881918	-0.401426069894	2.13077315476	0.0584902164771	3.37676505072	-0.0032463738922	-0.997292733459	-0.317408556265	0.859394049604	-0.104234687993	-0.230790839395	0.370822436784	0.0389031948374	0.0911682964511	0.480231412238	-0.0835652612038	-0.00538464882655	0.51133000155	0.0355117334015	0.346050840142	-22.0056805656	-15.8957093711	-12.918406584
13	2.58751384269	-0.00338203370426	1.27645804744	1.18549046999	0.974060322931	2.22486881663	-0.0258419449846	-0.032244855939	-0.192942882462	0.173119576616	-0.0103779315337	-0.255320230943	0.0444392705435	0.0937128632263	0.0515460190486	0.314810004398	-0.0674205380361	0.00495935859532	0.27872971327	0.0369246003322	0.452736235539	-24.3072789335	-26.6993587185	-24.5935000532
14	0.994618307367	0.0243247420347	-0.292375989998	1.25941867327	-0.476368831735	2.24369292438	-0.0562011659645	-0.112602238083	0.145096198674	0.155156404691	-0.00872689249255	0.0207502992033	-0.143941785957	-0.170155804715	0.036454116547	0.135170258552	-0.0267023677491	0.0316451679665	0.251680041144	-0.0860614590638	0.420918507844	-34.0049931168	-14.1978690725	-35.6390359957
15	2.80859288043	1.10592972666	0.130133314068	3.40737101917	0.33771971282	2.48606561373	0.00416258883936	0.367050025914	0.0389158636489	0.189164447261	0.134014484259	-0.272037788112	-0.584305870968	-0.0774299945038	-0.0668241228189	0.279423324142	0.0532871205557	0.0163317430902	0.35421177704	-0.00438656975465	0.478524036204	-31.6208463407	-2.7258187407	-39.9212555258
16	0.803171423049	-0.165938590533	0.336771297726	2.06474691443	0.512187211988	1.16281478758	0.0294428354857	-0.170382872128	-0.417358049484	0.394230025743	-0.0812867310468	0.403970110932	0.379243078929	-0.640272913908	0.0464024567792	0.30830319955	-0.14313748863	0.121213910286	0.449584630031	0.0074106477839	0.621873686179	-40.426486311	-34.8379634921	-32.1982546146
17	0.239031667551	-0.498367622159	0.209453377264	1.0556917532	-0.647473154069	1.81784850828	-0.0128063210802	0.0295556521551	-0.287281218522	-0.223917597157	-0.0603131469303	0.543123476235	0.603145200054	-0.379578724979	-0.38911620323	0.445133248923	-0.300364195089	-0.0348909467598	0.398406690072	-0.202667490497	0.858330235923	-15.3644074523	-15.5110333635	19.2195283517
18	2.17085946262	-0.929238888267	0.853089818866	2.4297228175	-1.39880151896	1.81419406005	0.254494602311	0.12594128309	-0.161446861115	-0.0113345174968	-0.329533019752	0.466939195956	0.797012613433	-0.0962989735508	0.125827198487	0.599176136225	-0.0651456747965	-0.0267616666998	0.271963140631	-0.11291153216	0.49196967597	-3.45916865758	-19.8426231214	18.1957650949
19	1.06814075375	-0.239809562217	0.214051775787	1.03036880039	-0.254851668329	1.37420000558	-0.013302391129	-0.0699913110255	-0.0211273838334	0.00384489298952	-0.0300104892198	0.476995484222	0.224926531886	-0.381371508187	0.0074959868288	0.221590851787	-0.104661989546	0.0272042417122	0.391914390726	-0.111462394783	0.710342259932	-14.1657084614	-4.72512377068	23.4830941298
20	5.27723973737	-0.452438117782	1.00144068194	1.17547743198	0.0719815638985	2.40426939967	-0.215306393154	-0.429505998496	-0.19436619023	0.193772236191	0.0875558200718	-0.0445397582947	0.0240229766819	-0.0979657692739	-0.0354963245754	0.397999383777	-0.0329916022742	-0.0814856055511	0.318977248166	0.105246446488	0.38632203125	12.7956315512	2.16135669542	43.3098145478
21	1.15372345682	0.207155398212	0.0942752633582	1.28159427524	-0.402948588233	2.63372390312	-0.0985396885004	0.0508145140661	-0.134383301318	-0.000326792952681	-0.0921184956541	-0.109221843495	0.497678056038	0.247723980972	0.105303961498	0.505247896675	0.0966262623324	0.148135726612	0.172542985125	0.146786971171	0.140625026884	21.4510509358	-19.4440449256	40.7732093769
22	1.56078504362	0.479831851375	-0.0870462759285	1.64944343893	-0.0730019002548	2.85952176998	-0.122537127049	0.14250857208	0.187069194376	-0.0938315494795	-0.0949601607618	-0.105378856957	-0.058258380295	0.481884245452	0.161106216547	0.285444470743	0.0349821265772	0.0732242970364	0.266396519862	0.133781275703	0.24027825195	27.1895012657	-7.23510182924	32.1883405058
23	1.01874623267	0.743746376955	0.677564840545	1.32892407022	-0.526662722241	1.92861626681	0.171016371457	-0.189532041629	0.240877384722	-0.0635144551733	-0.0565696896479	-0.00947451712591	-0.141251311138	0.0803580785147	-0.166386645713	0.262387329752	0.0474402864305	0.0249600850268	0.37730280133	-0.127887987784	0.422817536932	-1.74146069375	38.036705303	24.137357018
24	1.35721659314	-0.120302201935	-0.592362767837	1.07525899636	-0.275745290581	0.939455626106	0.131076076231	0.29242646207	0.26500178404	-0.354751027885	-0.019466259645	0.299024352621	-0.334190975358	-0.347893807537	-0.114594213778	0.327502378383	0.213103068652	-0.137400553146	0.416509416437	-0.0410608097215	0.375572667168	-11.9819111554	40.5184724311	-4.31570306427
25	1.85618088114	0.499484245159	0.0237025499383	0.425017179689	0.709914589508	3.86149360337	0.233560223852	0.013021573441	0.202679404366	-0.387470752781	0.0111110820537	-0.113902587602	-0.277399606983	0.0835929532156	-0.253691361321	0.352455300167	0.0331979598858	0.0268117804553	0.219615503552	-0.0552606894994	0.411076778569	3.65423393688	44.0286385283	-3.03403057732
26	1.19672781878	0.443657745039	-0.456855930011	1.94228587628	0.598359161607	2.25156602115	0.0307322662038	0.0105696303692	-0.114766827869	-0.348768263221	0.0792770854057	-0.170927031599	-0.0395873185706	0.0997054901629	-0.064376563343	0.183027075598	0.0896390546591	-0.0188227894794	0.257983034753	-0.0680323721119	0.373506034779	-3.83776208573	36.7050439574	10.2520338253
27	1.85883697698	1.21982851347	-1.52878687618	1.70213943291	-1.80218778719	1.96611373603	-0.242503274199	0.264388521293	-0.696994628557	-0.369925209493	-0.262772212493	0.0266151153796	0.372502023006	-0.0628649593705	0.107699322438	0.247085538041	0.0542858897354	-0.103378416271	0.446840774728	-0.194688484603	0.515647265465	-9.10997815278	18.6440609624	-0.56353492641
28	1.80907672138	0.204464326311	0.211623029681	0.843918456345	-0.972809317049	1.23877413766	-0.0103517716722	0.00504300951535	0.0404198809774	0.271320193362	0.0873089669254	0.228893859887	-0.165884189499	0.000940213898718	-0.0790672892484	0.145790948785	0.0699750825393	0.027692974804	0.31451308163	-0.102801290483	0.465667339113	-13.6641436475	40.1875746236	20.7068873389

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 'A' and (resid -1 through 29 )	A	A	-1 - 29	1 - 26
2	2	chain 'A' and (resid 30 through 276 )	A	A	30 - 276	27 - 255
3	3	chain 'A' and (resid 277 through 370 )	A	A	277 - 370	256 - 337
4	4	chain 'B' and (resid -1 through 29 )	B	E	-1 - 29	1 - 26
5	5	chain 'B' and (resid 30 through 118 )	B	E	30 - 118	27 - 103
6	6	chain 'B' and (resid 119 through 254 )	B	E	119 - 254	104 - 230
7	7	chain 'B' and (resid 255 through 370 )	B	E	255 - 370	231 - 336
8	8	chain 'C' and (resid 1 through 29 )	C	G	1 - 29	1 - 23
9	9	chain 'C' and (resid 30 through 63 )	C	G	30 - 63	24 - 57
10	10	chain 'C' and (resid 64 through 125 )	C	G	64 - 125	58 - 105
11	11	chain 'C' and (resid 126 through 158 )	C	G	126 - 158	106 - 138
12	12	chain 'C' and (resid 159 through 185 )	C	G	159 - 185	139 - 165
13	13	chain 'C' and (resid 186 through 254 )	C	G	186 - 254	166 - 234
14	14	chain 'C' and (resid 255 through 309 )	C	G	255 - 309	235 - 289
15	15	chain 'C' and (resid 310 through 333 )	C	G	310 - 333	290 - 313
16	16	chain 'C' and (resid 334 through 375 )	C	G	334 - 375	314 - 355
17	17	chain 'D' and (resid 0 through 122 )	D	I	0 - 122	1 - 103
18	18	chain 'D' and (resid 123 through 254 )	D	I	123 - 254	104 - 235
19	19	chain 'D' and (resid 255 through 375 )	D	I	255 - 375	236 - 344
20	20	chain 'F' and (resid -1 through 29 )	F	K	-1 - 29	1 - 25
21	21	chain 'F' and (resid 30 through 276 )	F	K	30 - 276	26 - 253
22	22	chain 'F' and (resid 277 through 372 )	F	K	277 - 372	254 - 338
23	23	chain 'E' and (resid 0 through 26 )	E	N	0 - 26	1 - 25
24	24	chain 'E' and (resid 27 through 143 )	E	N	27 - 143	26 - 129
25	25	chain 'E' and (resid 144 through 203 )	E	N	144 - 203	130 - 189
26	26	chain 'E' and (resid 204 through 284 )	E	N	204 - 284	190 - 270
27	27	chain 'E' and (resid 285 through 333 )	E	N	285 - 333	271 - 308
28	28	chain 'E' and (resid 334 through 375 )	E	N	334 - 375	309 - 350

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