PDB-6vm6: Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain conta...

Basic information

• Entry: Database: PDB / ID: 6vm6
• Title: Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 2'3'3'-cAAA

Components

• 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')
• SAVED domain-containing protein

• Keywords: HYDROLASE / nuclease / DUF4297 / SAVED / CARF / phage immunity

Function / homology

Function:

endonuclease activity / defense response to virus / Hydrolases; Acting on ester bonds / nucleotide binding / DNA binding / metal ion binding

Domain/homology:

CD-NTase associated protein 4, DNA endonuclease domain / Cap4, dsDNA endonuclease domain / SMODS-associated and fused to various effectors / SMODS-associated and fused to various effectors sensor domain

Component:

RNA / CD-NTase-associated protein 4

• Biological species: Acinetobacter sp. ATCC 27244 (bacteria); synthetic construct (others)
• Method: X-RAY DIFFRACTION / SYNCHROTRON / SAD / Resolution: 2.1 Å
• Authors: Lowey, B. / Whiteley, A.T. / Keszei, A.F.A. / Morehouse, B.R. / Antine, S.P. / Cabrera, V. / Schwede, F. / Mekalanos, J.J. / Shao, S. / Lee, A.S.Y. / Kranzusch, P.J.
• Citation: Journal: Cell / Year: 2020; Title: CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection.; Authors: Lowey, B. / Whiteley, A.T. / Keszei, A.F.A. / Morehouse, B.R. / Mathews, I.T. / Antine, S.P. / Cabrera, V.J. / Kashin, D. / Niemann, P. / Jain, M. / Schwede, F. / Mekalanos, J.J. / Shao, S. / Lee, A.S.Y. / Kranzusch, P.J.

History

Deposition	Jan 27, 2020	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Jun 17, 2020	Provider: repository / Type: Initial release
Revision 1.1	Jul 1, 2020	Group: Database references / Category: citation / citation_author Item: _citation.country / _citation.journal_abbrev / _citation.journal_id_ASTM / _citation.journal_id_CSD / _citation.journal_id_ISSN / _citation.pdbx_database_id_PubMed / _citation.title
Revision 1.2	Jul 22, 2020	Group: Database references / Category: citation / Item: _citation.journal_volume / _citation.page_first
Revision 1.3	Mar 6, 2024	Group: Data collection / Database references / Category: chem_comp_atom / chem_comp_bond / database_2 Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession

Assembly

Deposited unit

A: SAVED domain-containing protein

B: SAVED domain-containing protein

C: SAVED domain-containing protein

D: SAVED domain-containing protein

E: SAVED domain-containing protein

F: SAVED domain-containing protein

G: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

H: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

I: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

J: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

K: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

hetero molecules

Summary:

• 319 kDa, 11 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	318,740	19
Polymers	317,971	11
Non-polymers	769	8
Water	26,842	1490

1

A: SAVED domain-containing protein

G: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

hetero molecules

Summary:

• defined by author
• Evidence: gel filtration
• 53.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	53,248	3
Polymers	53,152	2
Non-polymers	96	1
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	1420 Å2
ΔGint	-12 kcal/mol
Surface area	21470 Å2

2

B: SAVED domain-containing protein

H: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

hetero molecules

Summary:

• defined by author
• 53.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	53,248	3
Polymers	53,152	2
Non-polymers	96	1
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	1400 Å2
ΔGint	-12 kcal/mol
Surface area	21540 Å2

3

C: SAVED domain-containing protein

I: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

hetero molecules

Summary:

• defined by author
• 53.3 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	53,344	4
Polymers	53,152	2
Non-polymers	192	2
Water	18	1

Symmetry operations:

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

Calculated values:

Buried area	1510 Å2
ΔGint	-19 kcal/mol
Surface area	21280 Å2

4

D: SAVED domain-containing protein

J: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

hetero molecules

Summary:

• defined by author
• 53.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	53,248	3
Polymers	53,152	2
Non-polymers	96	1
Water	36	2

Symmetry operations:

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

Calculated values:

Buried area	1410 Å2
ΔGint	-11 kcal/mol
Surface area	21520 Å2

5

E: SAVED domain-containing protein

K: 2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

hetero molecules

Summary:

• defined by author
• 53.2 kDa, 2 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	53,248	3
Polymers	53,152	2
Non-polymers	96	1
Water	18	1

Symmetry operations:

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

Calculated values:

Buried area	1410 Å2
ΔGint	-12 kcal/mol
Surface area	21200 Å2

6

F: SAVED domain-containing protein

hetero molecules

Summary:

• defined by author
• 52.4 kDa, 1 polymers

Component details:

	Theoretical mass	Number of molelcules
Total (without water)	52,402	3
Polymers	52,210	1
Non-polymers	192	2
Water	18	1

Symmetry operations:

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

Calculated values:

Buried area	270 Å2
ΔGint	-18 kcal/mol
Surface area	21820 Å2

Unit cell

Length a, b, c (Å)	106.577, 111.457, 164.830
Angle α, β, γ (deg.)	90.000, 100.207, 90.000
Int Tables number	4
Space group name H-M	P1211
Space group name Hall	P2yb
Symmetry operation	#1: x,y,z #2: -x,y+1/2,-z

Components

#1: Protein

A B C D E F
SAVED domain-containing protein / Cap4

Details:

Mass: 52209.676 Da / Num. of mol.: 6
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Acinetobacter sp. ATCC 27244 (bacteria)
Gene: HMPREF0023_0548 / Production host: Escherichia coli (E. coli) / References: UniProt: C0VHC9

#2: RNA chain

G H I J K
2'-5'-Linked Cyclic RNA (5'-R(P*AP*AP*A)-3')

Details:

Mass: 942.660 Da / Num. of mol.: 5 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others)

#3: Chemical

A-501 B-501 C-501 C-502 D-501 E-501 F-501 F-502
ChemComp-SO4 / SULFATE ION / Sulfate

Details:

Mass: 96.063 Da / Num. of mol.: 8 / Source method: isolated from a natural source / Formula: SO₄

#4: Water

ChemComp-HOH / water / Water

Details:

Mass: 18.015 Da / Num. of mol.: 1490 / Source method: isolated from a natural source / Formula: H₂O

• Has ligand of interest: Y

Experimental details

Experiment

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

Sample preparation

• Crystal: Density Matthews: 3.03 ų/Da / Density % sol: 59.41 %
• Crystal grow: Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8 ; Details: 10% PEG-3350, 200 mM lithium sulfate, 100 mM imidazole pH 8.0

Data collection

• Diffraction: Mean temperature: 80 K / Serial crystal experiment: N
• Diffraction source: Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.97918 Å
• Detector: Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Aug 14, 2019
• Radiation: Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
• Radiation wavelength: Wavelength: 0.97918 Å / Relative weight: 1
• Reflection: Resolution: 2.1→49.21 Å / Num. obs: 217277 / % possible obs: 98.3 % / Redundancy: 7.2 % / B_iso Wilson estimate: 39.38 Ų / CC_1/2: 0.998 / R_pim(I) all: 0.042 / Net I/σ(I): 12.4
• Reflection shell: Resolution: 2.1→2.14 Å / Num. unique obs: 10452 / CC_1/2: 0.55 / R_pim(I) all: 0.811

Processing

Software

Name	Version	Classification
PHENIX	1.17.1_3660	refinement
XDS		data reduction
Aimless		data scaling
SOLVE		phasing

Refinement

Method to determine structure: SAD / Resolution: 2.1→49.21 Å / SU ML: 0.2286 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 22.8732
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	Rfactor	Num. reflection	% reflection
Rfree	0.2192	2000	0.92 %
Rwork	0.1854	214812	-
obs	0.1857	216812	98.06 %

• Solvent computation: Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL
• Displacement parameters: B_iso mean: 54.04 Ų

Refinement step

Cycle: LAST / Resolution: 2.1→49.21 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	21078	0	370	1490	22938

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0044	21932
X-RAY DIFFRACTION	f_angle_d	0.764	29729
X-RAY DIFFRACTION	f_chiral_restr	0.0477	3292
X-RAY DIFFRACTION	f_plane_restr	0.0035	3751
X-RAY DIFFRACTION	f_dihedral_angle_d	14.3552	7904

LS refinement shell

Resolution (Å)	Rfactor Rfree	Num. reflection Rfree	Rfactor Rwork	Num. reflection Rwork	Refine-ID	% reflection obs (%)
2.1-2.15	0.312	139	0.2652	14892	X-RAY DIFFRACTION	95.7
2.15-2.21	0.283	141	0.2495	15156	X-RAY DIFFRACTION	97.22
2.21-2.28	0.2844	141	0.2388	15126	X-RAY DIFFRACTION	96.77
2.28-2.35	0.2517	137	0.2226	14757	X-RAY DIFFRACTION	95.1
2.35-2.43	0.2213	143	0.2058	15365	X-RAY DIFFRACTION	98.23
2.43-2.53	0.2446	143	0.2014	15335	X-RAY DIFFRACTION	98.4
2.53-2.65	0.237	143	0.1994	15380	X-RAY DIFFRACTION	98.56
2.65-2.78	0.2657	144	0.1983	15433	X-RAY DIFFRACTION	98.76
2.78-2.96	0.2562	144	0.2005	15465	X-RAY DIFFRACTION	98.83
2.96-3.19	0.2232	144	0.1968	15439	X-RAY DIFFRACTION	98.87
3.19-3.51	0.2219	142	0.1924	15388	X-RAY DIFFRACTION	98.17
3.51-4.02	0.196	146	0.1688	15554	X-RAY DIFFRACTION	99.37
4.02-5.06	0.1755	146	0.1518	15679	X-RAY DIFFRACTION	99.5
5.06-49.21	0.2089	147	0.1718	15843	X-RAY DIFFRACTION	99.29

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	0.786415376223	-0.617547870247	0.290763985633	2.08157858804	-0.0813432675056	1.67201134342	0.0530455552964	0.0932578374306	0.0959610409787	-0.071846412566	-0.0244535761319	-0.187954724144	-0.193180915026	0.0389061091617	-0.026595308008	0.237501345677	-0.0174550974923	0.0490650963341	0.337748820801	-0.0425513651672	0.294192563994	33.4709929851	-12.9236192932	22.6434167748
2	1.84746500657	0.60616987297	1.40349396068	0.708396285684	0.422362837928	1.91419710861	0.0671082151465	0.346458751454	-0.253847541013	-0.145486933225	0.0311885607692	-0.303629447469	0.174809775892	0.431152744046	-0.0671555949913	0.263663844716	0.0473769178561	0.0498238440019	0.365726485437	-0.0273982420144	0.423443437674	52.8543447861	-26.875488492	35.875807616
3	3.19517487187	-0.89768466742	0.0103750803543	4.62375823381	0.205308725146	3.20833623839	-0.0644837293805	-0.43212251599	-0.121178098255	0.750153475553	-0.0142601279778	-0.517793809202	0.20863660166	0.289614266753	0.0998710491153	0.292182713224	-0.0233938231908	-0.0938220110919	0.442075288539	0.0950513805813	0.452781923829	64.8684078341	-21.7042074662	63.2382831481
4	1.87466938186	-0.522854416337	-0.170305048901	0.625316979842	-0.0864102119586	2.26985765275	0.0714796375285	0.186614492894	0.0522175028359	-0.0701281988242	0.0105704725769	-0.110096060763	-0.114132050356	0.186864670796	-0.0715047846941	0.242498072795	-0.0252141570283	-0.0150164109613	0.222965195494	-0.0446967408769	0.335818529426	31.326385473	-1.22379514155	52.5777670923
5	1.66669972238	-0.0667622309797	-1.3796561378	1.10057614752	0.679283988847	6.59323022516	0.158414027235	-0.158245465897	0.147392762721	0.113151009665	0.0683462720148	-0.269263677312	-0.279611781198	0.584865119537	-0.25361623881	0.284076019792	-0.0429021705278	-0.0502671390671	0.199690836945	-0.0300558565963	0.436730402634	33.3976076563	3.83875924162	59.7737190477
6	1.86930616725	-1.43976209884	1.14345916977	1.78463347743	-1.20559407988	2.07211375899	-0.174721508008	-0.224853362699	0.205582984373	0.395126065007	0.120626610743	-0.0741564991241	-0.523480663495	-0.192705631723	0.0445158030345	0.361918510363	-0.00153017852082	0.0186456496949	0.270987024035	-0.0481851300151	0.33139927587	9.42073582231	11.1457028004	65.6623469161
7	2.18846339244	-0.550710387758	-0.845409795086	2.93038061931	0.0412806423731	2.34197543365	-0.128363129397	-0.173489037794	0.134940390675	0.425896649447	0.348847525713	0.578820124714	-0.788725992945	-1.32094232347	-0.148767585291	0.598025896251	0.358446231781	0.123036225735	0.737763014715	0.0400671170668	0.483897522351	-13.0875473618	24.6290210874	58.0936512151
8	1.57604777082	0.214521353488	0.576830205468	1.49703525775	0.748286326697	2.35978535041	-0.0237942827154	-0.0153132581468	0.0131273859725	-0.0436914991131	0.067765725793	-0.0528135565182	-0.032068986858	0.0409380444965	-0.041931493037	0.236789838751	0.0422034396204	0.0167995222643	0.189979396667	0.0342081514532	0.17553536721	5.59963069254	2.95567819743	30.3113535814
9	4.91432624247	0.602606238804	2.41920498187	1.8334473047	0.691441494275	2.7598052059	-0.290828044658	0.106143634557	0.401307625096	-0.16471562123	0.194438127153	-0.0568515972905	-0.374240384561	0.0498439910117	0.0707874615831	0.339486326015	0.0137459985136	0.0481589397373	0.194375391915	0.0553386111124	0.204795892709	8.4019250976	10.6202288571	25.6254551076
10	2.68659860728	-1.22814351115	-1.11237231573	1.12839025172	0.542714689508	2.16409944518	0.227625876558	0.594048747758	0.00841885855174	-0.411087846752	-0.170982217249	0.0564396501937	-0.0625314687569	-0.266980392719	-0.0597887622923	0.411871595509	-0.00534304195988	-0.0319886790776	0.313916154378	0.0138502019037	0.218335903778	2.56828448631	-8.06969627502	5.33390212185
11	2.13836218961	0.351321629235	-0.0754862952207	2.3138283148	0.324425485741	2.59308969845	0.479240209117	1.32208185021	-0.710081841653	-0.995888552164	-0.310908824344	-0.127492265357	0.319736766077	0.228632590268	-0.147103345667	0.906332258447	0.205584045387	-0.0389177807367	0.955156011845	-0.238212001546	0.449788955052	16.7026690699	-21.4220233328	-13.5317776828
12	1.12936371452	-0.377635743152	0.19575432049	1.99502771508	0.695556188989	1.40940169143	0.0588334929667	0.0638135314928	-0.192033412725	0.0767651044851	-0.0573292971337	0.0539391576557	0.165054452398	-0.0927292049515	0.00601260558688	0.1929995574	-0.0449615310711	0.0179357158789	0.327406825148	0.0145919221657	0.259948575104	-9.88002056913	-22.935552752	48.7362564015
13	1.60007170179	-1.0746685013	-0.320348554444	3.42668045151	1.11258727609	1.82117710353	0.0644851650312	0.105091324206	-0.122447913408	-0.0182966197439	-0.184716882786	0.56012071144	0.0421440988887	-0.412924994588	0.107675836432	0.176214036679	-0.0722702098076	0.0303392281247	0.366984665085	0.0470162503873	0.29505837158	-17.1640174322	-20.1445316205	53.2588452667
14	0.819832285995	-0.711549690725	0.773666118725	0.942174415595	-0.635635791871	2.11532704953	-0.0095117047186	-0.176774673211	-0.0147755553037	0.276516758571	0.0069862565624	0.167492258088	-0.0696610061191	-0.236511580511	0.0140311759539	0.29215747811	-0.0872972629595	0.0596794741535	0.314460223946	0.00227038790581	0.298302197392	-5.01449001695	-10.0681271204	73.5516681866
15	3.39951486266	-1.13751177299	-0.00483478121615	3.89911194561	0.310748785292	2.52954149875	-0.183309029438	-0.755452714567	0.354407541628	0.931526026598	0.199059059845	-0.568807094779	-0.122885422135	0.457604063733	-0.0205533472275	0.600427588739	-0.0652624398463	-0.0887776348419	0.542317642671	-0.0303995653082	0.309673444364	11.2300985944	-14.1670628329	95.0244542478
16	1.72986192464	-0.42533278459	-0.456194432787	0.937657793906	0.520620890077	1.04503101786	0.010709506608	0.0313680270755	-0.0197147905694	-0.0693387709378	0.0066516299528	-0.0632013045183	0.081780000215	-0.0753946857826	-0.0175141718024	0.280051168099	0.00502048407998	-0.0317122388605	0.169551240587	0.0390637570757	0.230728180371	22.8664704029	-31.4224994209	60.5157355719
17	2.92887244645	-0.0616473665987	-0.178168051566	1.03252471887	0.53914859432	2.02459092522	-0.0579217788063	-0.0101189905008	-0.396045737579	0.0784516742964	0.0306892345058	0.186926824513	0.45251319941	-0.386171446034	0.0105692405204	0.395032091322	-0.0681335120341	-0.0125690200272	0.304529045902	0.0520977003761	0.36025718716	8.75735377213	-40.8965533595	61.4118508529
18	4.1104348986	-0.0850542244538	1.42727695916	0.887139630383	-0.720194649199	0.984498853189	-0.0458547385261	-0.568377582806	-0.570102701462	0.479096343012	0.092033857367	-0.0660313181797	0.232599948924	0.024014723334	-0.0132122625506	0.593717224801	0.00554377167143	-0.0865961344439	0.296209547095	0.109943514543	0.39845632504	36.486829128	-41.396061043	71.9146357923
19	2.34889024093	-0.0704005400162	0.280591963141	1.68654610739	0.625162407966	3.17319394711	-0.0168839740945	-0.0927220121732	-0.0707526427932	0.195818164581	-0.0219090081472	-0.449724844376	0.25398670743	0.458725038387	-0.0249645631951	0.299992151074	0.0425443954399	-0.0235473691219	0.283197225455	0.0359649203768	0.346434688299	43.7721517376	-35.1782213882	63.4617617601
20	2.111809077	0.223863541528	1.05399153659	1.31504886636	1.27331056611	2.90732991479	0.145264676779	0.187168039185	-0.695235168087	0.0619128904273	0.00233008733692	-0.187918056455	0.560624750921	0.294273948702	-0.189223350233	0.480527369216	0.0774532890007	-0.0174384144877	0.305217887935	-0.0182977625085	0.467398755412	34.5262062909	-50.7209453499	41.3767792216
21	1.04816403516	0.171914964827	-0.0669120853252	1.46382947408	0.999230216208	1.45530580522	0.175053352407	0.742104999009	-0.993671570709	-0.148916214399	0.211560094397	-0.501764834505	0.904930902337	0.82663122994	-0.410707080276	0.957695613556	0.337256433321	-0.0618239854225	0.997268425268	-0.379586251734	1.2141239026	47.8972718255	-64.2247077096	30.6284381128
22	3.40699893471	-0.358237916894	1.43331929478	1.71147912157	-0.217960956865	3.29135203484	-0.0180326230665	0.757595414466	-0.805099778777	-0.307638018911	0.352068607379	-0.681329399356	0.4594168727	0.834792121379	-0.382742955333	0.687445997046	0.153758218387	0.0534619502242	0.704426201079	-0.320136380414	0.754417383861	40.3121667217	-58.235484452	27.9270276344
23	1.57535500634	-0.266472303332	0.341822301731	0.357311440433	-0.527368287601	1.98527652548	0.041676079948	-0.019370994001	-0.0980441762003	0.0940260844038	-0.00391676687502	-0.00414811275861	0.213735955811	-0.0505816714862	-0.0615876075546	0.351100750342	-0.0244413733044	-0.0128738089349	0.225041482461	-0.0830390560157	0.271145509237	10.7011397653	-40.5475601406	27.9747855198
24	1.07181232571	-0.156636468088	0.201851282419	0.89052997074	-0.333665577128	5.60800374195	-0.019298985712	0.110981691513	-0.268097284992	-0.070468744332	0.114421420413	0.0529312997009	0.90397388757	-0.268047552403	0.0334893783217	0.456172710748	-0.0884930886831	-0.0054876256797	0.290277347337	-0.0745499650575	0.43552261994	5.34797312431	-48.4098010603	28.5406107415
25	2.5965998049	-0.880411017159	-0.847397161808	0.706825275637	0.619483186991	1.45893412013	0.0497574117991	0.478993291748	-0.198891045794	-0.16442835983	-0.121212428945	0.18656674734	0.159753849663	-0.428933808485	0.0610801953736	0.409237926763	-0.0683343751917	-0.0587073947526	0.428925873302	-0.0340732536433	0.368472747461	-6.80522413668	-30.4765654684	14.8645894176
26	1.1656504919	0.102649492237	0.177049962968	0.552955764945	-0.649633563948	1.93558633331	-0.011728791325	0.559666478184	-0.0483979934032	-0.220486694641	0.120957598025	0.827198353594	-0.144783292555	-1.67472138492	-0.140466405351	0.689764356664	0.0123721061402	-0.17059762766	1.6705318966	0.114143272804	0.882833934334	-34.1088834705	-20.343402662	11.3169775743
27	2.73130169813	-0.60647494507	-1.10613747728	0.98172161799	1.11466908667	4.53214127283	0.161675826601	0.796739772839	0.349670533208	-0.27299693407	0.0456053598331	0.3380787623	-0.16929300853	-1.30157776839	-0.284185481986	0.349786984448	0.0295282224684	-0.0674936391751	0.945894694635	0.12113113831	0.629990299611	-28.8144026242	-18.7495022337	19.4800140097

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Selection details
1	X-RAY DIFFRACTION	1	chain 'A' and (resid 14 through 166 )
2	X-RAY DIFFRACTION	2	chain 'A' and (resid 167 through 342 )
3	X-RAY DIFFRACTION	3	chain 'A' and (resid 343 through 462 )
4	X-RAY DIFFRACTION	4	chain 'B' and (resid 13 through 147 )
5	X-RAY DIFFRACTION	5	chain 'B' and (resid 148 through 189 )
6	X-RAY DIFFRACTION	6	chain 'B' and (resid 190 through 342 )
7	X-RAY DIFFRACTION	7	chain 'B' and (resid 343 through 462 )
8	X-RAY DIFFRACTION	8	chain 'C' and (resid 13 through 133 )
9	X-RAY DIFFRACTION	9	chain 'C' and (resid 134 through 189 )
10	X-RAY DIFFRACTION	10	chain 'C' and (resid 190 through 342 )
11	X-RAY DIFFRACTION	11	chain 'C' and (resid 343 through 462 )
12	X-RAY DIFFRACTION	12	chain 'D' and (resid 13 through 147 )
13	X-RAY DIFFRACTION	13	chain 'D' and (resid 148 through 189 )
14	X-RAY DIFFRACTION	14	chain 'D' and (resid 190 through 342 )
15	X-RAY DIFFRACTION	15	chain 'D' and (resid 343 through 462 )
16	X-RAY DIFFRACTION	16	chain 'E' and (resid 13 through 91 )
17	X-RAY DIFFRACTION	17	chain 'E' and (resid 92 through 166 )
18	X-RAY DIFFRACTION	18	chain 'E' and (resid 167 through 189 )
19	X-RAY DIFFRACTION	19	chain 'E' and (resid 190 through 234 )
20	X-RAY DIFFRACTION	20	chain 'E' and (resid 235 through 318 )
21	X-RAY DIFFRACTION	21	chain 'E' and (resid 319 through 415 )
22	X-RAY DIFFRACTION	22	chain 'E' and (resid 416 through 462 )
23	X-RAY DIFFRACTION	23	chain 'F' and (resid 13 through 133 )
24	X-RAY DIFFRACTION	24	chain 'F' and (resid 134 through 189 )
25	X-RAY DIFFRACTION	25	chain 'F' and (resid 190 through 318 )
26	X-RAY DIFFRACTION	26	chain 'F' and (resid 319 through 415 )
27	X-RAY DIFFRACTION	27	chain 'F' and (resid 416 through 462 )