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Yorodumi

- PDB-9y12: Crystal Structure of N-Acetyl Transferase Domain-Containing Prote... -

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Open data

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Basic information

Entry

Database: PDB / ID: 9y12

Title

Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis

Components

Acetyltransferase (GNAT) family protein

Keywords

TRANSFERASE / N-acetyl transferase / GNAT domain / Midwest center for Structural Genomics (MCSG) / PSI-2 / Protein Structure Initiative

Function / homology

acyltransferase activity, transferring groups other than amino-acyl groups / Acetyltransferase (GNAT) family / Gcn5-related N-acetyltransferase (GNAT) domain profile. / GNAT domain / Acyl-CoA N-acyltransferase / ACETATE ION / COENZYME A / Acetyltransferase (GNAT) family protein

Function and homology information

Biological species

Bacteroides fragilis (bacteria)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

SAD / Resolution: 2.5 Å

Authors

Kim, Y. / Bigelow, L. / Clancy, L. / Abdullah, J. / Joachimiak, A. / Midwest Center for Structural Genomics (MCSG)

Funding support

United States, 1items

Citation

Journal: To Be Published
Title: Crystal Structure of N-Acetyl Transferase Domain-Containing Protein from Bacteroides fragilis
Authors: Kim, Y. / Bigelow, L. / Clancy, L. / Abdullah, J. / Joachimiak, A.

History

Deposition	Aug 29, 2025	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Sep 10, 2025	Provider: repository / Type: Initial release

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Structure visualization

Structure viewer	Molecule: MolmilJmol/JSmol

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Downloads & links

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Download

PDBx/mmCIF format	9y12.cif.gz	638.5 KB	Display	PDBx/mmCIF format
PDB format	pdb9y12.ent.gz	442.7 KB	Display	PDB format
PDBx/mmJSON format	9y12.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Summary document	9y12_validation.pdf.gz	2.6 MB	Display	wwPDB validaton report
Full document	9y12_full_validation.pdf.gz	2.6 MB	Display
Data in XML	9y12_validation.xml.gz	48.8 KB	Display
Data in CIF	9y12_validation.cif.gz	61.7 KB	Display
Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/y1/9y12 ftp://data.pdbj.org/pub/pdb/validation_reports/y1/9y12	HTTPS FTP

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Related structure data

Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search
Other databases	TargetTrack: APC60129

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#146 - Feb 2012 Aminoglycoside Antibiotics similarity (5) #97 - Jan 2008 Circadian Clock Proteins similarity (4) #93 - Sep 2007 Citrate Synthase similarity (1) #154 - Oct 2012 Citric Acid Cycle similarity (1) #216 - Dec 2017 Biodegradable Plastic similarity (1) #39 - Mar 2003 lac Repressor similarity (1)

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Assembly

Deposited unit

A: Acetyltransferase (GNAT) family protein

B: Acetyltransferase (GNAT) family protein

C: Acetyltransferase (GNAT) family protein

D: Acetyltransferase (GNAT) family protein

E: Acetyltransferase (GNAT) family protein

F: Acetyltransferase (GNAT) family protein

G: Acetyltransferase (GNAT) family protein

H: Acetyltransferase (GNAT) family protein

hetero molecules

155 kDa, 8 polymers
Search similar-shape structures of this assembly by Omokage search (details)

A: Acetyltransferase (GNAT) family protein

G: Acetyltransferase (GNAT) family protein

hetero molecules

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

B: Acetyltransferase (GNAT) family protein

C: Acetyltransferase (GNAT) family protein

hetero molecules

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

D: Acetyltransferase (GNAT) family protein

E: Acetyltransferase (GNAT) family protein

hetero molecules

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

F: Acetyltransferase (GNAT) family protein

H: Acetyltransferase (GNAT) family protein

hetero molecules

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

Unit cell

Length a, b, c (Å)	92.963, 92.963, 218.508
Angle α, β, γ (deg.)	90.000, 90.000, 120.000
Int Tables number	144
Space group name H-M	P3₁
Space group name Hall	P3₁
Symmetry operation	#1: x,y,z #2: -y,x-y,z+1/3 #3: -x+y,-x,z+2/3

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Components

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Protein , 1 types, 8 molecules ABCDEFGH

#1: Protein	Acetyltransferase (GNAT) family protein / GNAT family N-acetyltransferase Mass: 18305.037 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacteroides fragilis (bacteria) / Gene: CQW34_04244, F2Z25_15380, F2Z89_05330 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: A0A149N1Y8

#1: Protein

Acetyltransferase (GNAT) family protein / GNAT family N-acetyltransferase

Mass: 18305.037 Da / Num. of mol.: 8
Source method: isolated from a genetically manipulated source
Source: (gene. exp.)

Bacteroides fragilis (bacteria) / Gene: CQW34_04244, F2Z25_15380, F2Z89_05330 / Production host:

Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Gold / References: UniProt: A0A149N1Y8

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Non-polymers , 5 types, 65 molecules

#2: Chemical	ChemComp-COA / COENZYME A Mass: 767.534 Da / Num. of mol.: 8 / Source method: obtained synthetically / Formula: C₂₁H₃₆N₇O₁₆P₃S
#3: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 20 / Source method: obtained synthetically / Formula: SO₄
#4: Chemical	ChemComp-EDO / 1,2-ETHANEDIOL / ETHYLENE GLYCOL Mass: 62.068 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₆O₂
#5: Chemical	ChemComp-ACT / ACETATE ION Mass: 59.044 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C₂H₃O₂
#6: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 35 / Source method: isolated from a natural source / Formula: H₂O

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Details

Has ligand of interest	N
Has protein modification	Y

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Experimental details

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.75 Å³/Da / Density % sol: 67.21 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 10.5 Details: 0.2 M lithium sulfate, 0.1 M CAPS pH 10.5, 2.0 M ammonium sulfate

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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: 0.97901 Å
Detector	Type: ADSC QUANTUM 315r / Detector: CCD / Date: Dec 20, 2009
Radiation	Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97901 Å / Relative weight: 1
Reflection twin	Operator: k,h,-l / Fraction: 0.5
Reflection	Resolution: 2.5→50 Å / Num. obs: 72028 / % possible obs: 100 % / Redundancy: 5.2 % / CC_1/2: 0.973 / R_merge(I) obs: 0.202 / R_pim(I) all: 0.098 / R_rim(I) all: 0.225 / Net I/σ(I): 11.8
Reflection shell	Resolution: 2.5→2.54 Å / R_merge(I) obs: 1.005 / Mean I/σ(I) obs: 1.6 / Num. unique obs: 3574 / CC_1/2: 0.457 / R_pim(I) all: 0.499 / R_rim(I) all: 1.124 / % possible all: 100

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Processing

Software

Name	Version	Classification
PHENIX	1.21.2_5419	refinement
HKL-3000		data reduction
HKL-3000		data scaling
HKL-3000		phasing
MLPHARE		phasing

Refinement

Method to determine structure:

SAD / Resolution: 2.5→46.48 Å / Cross valid method: FREE R-VALUE / σ(F): 2.04 / Phase error: 23.6413
Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2

	R_factor	Num. reflection	% reflection
R_free	0.2235	3703	5.15 %
R_work	0.1889	68263	-
obs	0.1992	71966	99.35 %

Solvent computation

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

Displacement parameters

B_iso mean: 49.46 Å²

Refinement step

Cycle: LAST / Resolution: 2.5→46.48 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	10128	0	492	35	10655

Refine LS restraints

Refine-ID	Type	Dev ideal	Number
X-RAY DIFFRACTION	f_bond_d	0.0023	10941
X-RAY DIFFRACTION	f_angle_d	0.4663	14914
X-RAY DIFFRACTION	f_chiral_restr	0.0403	1499
X-RAY DIFFRACTION	f_plane_restr	0.0031	1865
X-RAY DIFFRACTION	f_dihedral_angle_d	14.2172	4050

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 (%)
2.51-2.55	0.2762	140	0.2784	3011	X-RAY DIFFRACTION	83.18
2.55-2.6	0.3208	168	0.2639	3451	X-RAY DIFFRACTION	95.31
2.6-2.65	0.3034	194	0.2616	3459	X-RAY DIFFRACTION	94.66
2.65-2.7	0.2905	230	0.2598	3388	X-RAY DIFFRACTION	93.64
2.7-2.76	0.2551	156	0.2516	3441	X-RAY DIFFRACTION	95.66
2.76-2.82	0.244	177	0.2419	3457	X-RAY DIFFRACTION	95.13
2.82-2.89	0.25	164	0.2332	3491	X-RAY DIFFRACTION	95.51
2.89-2.97	0.2447	185	0.2269	3373	X-RAY DIFFRACTION	94.8
2.97-3.06	0.2515	186	0.2263	3397	X-RAY DIFFRACTION	94.78
3.06-3.16	0.2894	176	0.2255	3506	X-RAY DIFFRACTION	95.22
3.16-3.27	0.2329	174	0.2221	3408	X-RAY DIFFRACTION	95.14
3.27-3.4	0.2544	168	0.2113	3465	X-RAY DIFFRACTION	95.38
3.4-3.56	0.2613	228	0.2009	3394	X-RAY DIFFRACTION	93.71
3.56-3.74	0.2325	208	0.2032	3455	X-RAY DIFFRACTION	94.32
3.75-3.98	0.2241	210	0.1745	3381	X-RAY DIFFRACTION	94.15
3.98-4.29	0.2122	173	0.1579	3452	X-RAY DIFFRACTION	95.23
4.29-4.72	0.1809	200	0.1516	3411	X-RAY DIFFRACTION	94.46
4.72-5.4	0.17	162	0.1546	3498	X-RAY DIFFRACTION	95.57
5.4-6.79	0.2213	236	0.1834	3360	X-RAY DIFFRACTION	93.44
6.8-46.48	0.2445	168	0.2105	3465	X-RAY DIFFRACTION	95.38

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	1.46714616883	-2.39006844108	0.929825690145	6.02217362756	-0.280379536135	1.30054807461	0.0347418205084	-0.0839386807249	-0.175593569062	0.188486246905	0.0791876901511	0.595048855017	-0.0419230147224	-0.533224836428	-0.116239393441	0.310701630164	0.0277956418211	0.0849459156391	0.468313073107	0.0445197308599	0.356967639786	-39.031307732	41.1071906947	-0.0105545552008
2	3.30172383884	-2.72645017814	-1.03392503773	7.16330341437	0.727895889675	5.53722445122	0.0898121939342	0.260327951949	-0.328606013684	-0.352279087414	-0.224595759959	0.388643698855	0.141472972352	-0.531837039523	0.153711406567	0.305341383819	0.0706192268926	-0.025797582125	0.382896236303	0.0116715832355	0.380277777819	-32.5497437049	31.5819480769	5.07012016205
3	1.20045823685	-0.852865415572	1.54799362187	3.84715435956	0.733435141063	4.10968291698	0.206969661528	-0.758074899936	-0.175533048464	-0.0666043805886	-0.0202004257338	-0.108468278172	0.232443250042	-0.659711158476	-0.234029970972	0.298304727795	0.0247377122032	0.0886136668215	0.313913171873	0.0447727998691	0.281944230638	-34.7258402572	42.3143088796	-2.24369323142
4	2.6850519664	-1.25696904222	1.90222215801	2.49244634998	0.32121554675	3.48732255602	0.330430116104	0.0950737694362	-0.670948814116	0.0705193205818	0.038134196956	0.251672688697	0.388276579933	0.0833498413128	-0.31808992903	0.319261929228	-0.0151393972893	0.0608524523768	0.257190061066	0.0746531442954	0.317018023719	-28.6754314132	34.5318194788	-9.220626546
5	7.24332975827	3.79439683705	6.45806371166	2.50923508788	3.43091606123	6.31932882835	-0.710976662791	0.279905113471	0.730574483253	-0.35893414476	0.527783187413	0.139896952703	-0.826720719093	0.182232575846	0.255893333777	0.336342705605	0.069561844817	0.0730725338268	0.329605767046	0.133794291638	0.511435197176	-29.3529217925	46.7388222615	-10.9992972868
6	0.920080891609	-0.0989404735516	0.279915393017	0.948058793204	0.17806147265	2.53974819347	-0.0348529001419	0.434497372194	-0.193108113097	-0.18613399796	0.116576023903	-0.24447582528	-0.0276040612284	0.129963237066	-0.101071154476	0.183494843393	0.0327365789579	0.0104509429647	0.292646394223	-0.0614640145662	0.381643421102	-22.2334427694	33.0217548168	-14.7093607173
7	1.82140322773	0.336452004825	0.352520946438	4.1990182015	-2.24370443571	7.47261374584	0.262679617306	-0.0516471622804	0.120764616732	-0.271876639602	-0.210442100503	0.0614582646287	0.50488517894	1.04216764521	-0.103980245659	0.245516761642	0.0897659621149	0.0569340496737	0.41171227945	0.0261971372708	0.557752610706	15.729680629	16.6304313646	-34.5854464416
8	8.61400506661	2.16198612648	-3.77569073393	2.16343286822	-0.754490647292	5.90874244286	0.478770597349	0.657689764505	-1.14557561535	-0.179257139925	-0.372618296149	-0.0482321775415	-0.0261850057837	-0.149391106508	0.0200461004089	0.261250438082	0.0947518407423	0.0170706056528	0.403839963371	-0.076687375034	0.368146426177	7.94587548114	9.56164997787	-40.3758585117
9	5.0011218448	0.830467536065	2.3139079211	0.451332572196	0.126679684846	2.75601773303	-0.0869753958582	-0.0526145448127	0.101524391209	-0.0362237756919	-0.107175040423	0.318891892033	0.034036469011	0.15710753534	0.174927317095	0.279556621987	0.0874867700577	0.0449517502545	0.38578308617	-0.0438340098126	0.366929958442	5.05452171087	15.3323669036	-40.0410689827
10	4.0421466917	-2.23113923472	-0.826473436019	1.59361900818	-0.205338548881	3.06807753233	-0.159766367644	0.0528853642215	-0.368068404908	0.195418645638	0.354805517825	0.326301712188	-0.135896364198	-0.15493954482	-0.175331116988	0.256074602154	0.0107983674168	-0.052623753365	0.367565364958	-0.118170240948	0.310041464077	-0.584075918976	20.8666000581	-31.5683131137
11	3.42639343606	-0.37891679806	0.0571243765161	0.216121296585	0.115907156545	2.13673019002	0.102241439694	-0.213249978283	0.0103517496576	0.316231563033	-0.00806623551579	0.0816704373642	-0.00391769269187	0.0965991200588	-0.0773931694788	0.288633481305	0.0530744612795	-0.0224272806036	0.255828677519	-0.043629152035	0.374333338197	1.98680675309	20.0916156063	-24.0757543338
12	5.13760002606	-1.74344666928	3.15750247596	6.36302415882	2.13609279301	8.2106162517	0.0288163207542	-0.501487527603	-0.379114278914	-0.0259840939351	0.374203928659	0.0244805722681	-0.482770309957	0.227258698605	-0.472709906598	0.229937348288	0.0698732590481	0.0968220030937	0.305150864988	-0.0639859279189	0.314645852799	-4.92853786811	24.2163812616	-22.9169994507
13	1.52529223236	-0.823376622106	-1.31245139212	2.59797685412	0.649670126724	2.32658023534	0.129750377362	0.199892281256	-0.0950861934179	-0.14152704149	0.168896195186	0.422895380622	-0.302012748985	-0.295525606316	-0.232842991556	0.277735065682	0.0682639445861	-0.00181834987288	0.46265499008	0.0264986321739	0.327610433505	-21.8322229702	33.8749275722	-36.2422974734
14	4.16018512002	4.74274334673	-0.492131686478	8.65444831998	-0.554217957175	1.81820326414	-0.0850773001542	0.0462104081122	-1.51500613132	0.203661567124	-0.115970240133	-0.738273085645	-0.75533093463	-0.147022066829	0.0836003916026	0.369550642117	0.0860004912658	0.0313392877091	0.332806877355	0.00851263509252	0.456415214529	-9.15660541848	38.5800363204	-31.3912428273
15	5.94272115271	-1.46848576164	1.92702150124	4.28723441202	0.5995192255	4.32895065887	0.348820956149	-0.147395290903	0.36972605956	-0.600521658141	-0.518917291002	-0.0286174850514	-0.144064251187	-0.500651137271	0.210612606308	0.386570063853	-0.0268220653764	-0.0476389529966	0.505647408052	0.0538756698803	0.320311259908	-22.6647335864	39.4290170487	-43.2732183608
16	1.33377334475	-2.24558741809	1.67828618235	8.65497420207	-2.74592642948	2.1135219338	0.391940995963	-0.307183244628	-0.0283721016338	-0.693760708807	-0.103356205519	0.143205081592	0.235684359284	0.411127859537	-0.145033614133	0.313786697499	0.153405761696	0.0851632951131	0.641615149944	0.0159735211051	0.314807928224	-3.83141739505	26.2948118918	-42.9104503313
17	1.41797354169	0.443026758141	2.08463616821	2.8775353269	-0.253170024637	3.63340895094	0.0747189909974	-0.142798321687	0.271724574132	-0.100407807488	0.0705611075248	0.724880742467	-0.0370428312158	-0.648208076889	-0.189770313229	0.324053886703	0.0496344199065	0.0730337657444	0.576087179805	-0.0526057812319	0.398514569681	-23.1773435495	33.8712442315	-51.1937738182
18	9.30100530211	1.50064318576	3.73909835947	1.59834309196	2.61565974404	4.91751857649	-0.0694456823164	0.0144461073302	0.699378788575	-0.571869946241	0.240321223918	0.269419178799	-0.911811082824	-0.31810713586	0.097717112335	0.439082296017	0.133823360553	0.114456982218	0.409413068281	0.195093466055	0.646948235642	-12.5235793843	42.3007746803	-48.8041974048
19	1.61166260907	-2.04746129103	-0.380028231967	2.73847412235	1.05310003444	5.75687285232	-0.224509064061	0.215807571947	0.136369227512	-0.192539678495	0.176544583795	0.37273096729	-0.372572531711	-0.437287828057	0.166781203847	0.31568401191	0.0061612467199	0.0509112535556	0.553377489263	0.059926228188	0.349112266181	-9.85233800573	31.7716928917	-54.2407117844
20	1.47605475006	-0.131806086591	0.312023240552	2.67182870161	-1.55566930602	2.77658878436	0.109295416337	0.305391526369	-0.344833068311	-0.328150046139	0.0143959125787	-0.163519857471	0.138322044032	0.0162612317487	-0.09708277457	0.2516150805	-0.0129239819256	0.0274326095485	0.572894577673	-0.100931511936	0.410052824325	-6.66722783066	23.5757448309	-51.5421345478
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34	5.85613909096	-2.56230934262	0.830980699703	2.95063865422	-2.65048347465	4.28360613855	-0.740851978793	-0.595207586862	0.9290642395	0.458476810681	0.367582350316	-1.64608609069	-0.779435996805	0.552471366008	0.066224659682	0.418163033347	-0.0741769205622	0.0448200119552	0.482444857211	-0.232490117513	0.712638473242	-23.1172186375	46.5495781219	41.6599943701
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36	4.42589916404	2.0703254189	-3.4577918606	1.24846609609	-1.1384524826	3.5295412678	0.218500059641	1.16190611985	0.224518338521	-0.176713713819	0.114515709266	-0.183866249381	0.379579405379	-0.490773841674	-0.251307013104	0.567631404492	0.200257501248	0.0507990739093	0.378705928764	0.0826894197252	0.34807560091	-33.4597952289	33.256108128	25.890497905
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38	2.69194296731	1.24507276035	0.521190827048	2.08863036273	0.909793064843	3.99710677758	0.326453167897	-0.033245075283	0.103096981313	-0.128718480514	-0.127808069443	-0.376634809003	-0.201251684295	0.626638236131	-0.146678275919	0.257208248514	0.00973008451469	0.0649298543252	0.418856678955	0.0287524344648	0.332997195751	12.6519086472	17.8583598073	-84.9466559624
39	1.45366578568	1.17432845576	0.473095771306	3.90122296656	-1.08648869308	5.12562938993	-0.0889631476514	-0.244584199427	-0.00172664602895	-0.241852703864	-0.105816205458	0.0651537210328	0.477128979828	0.119018517283	-0.0569605916152	0.160061552823	-0.0453918593658	0.0463858593811	0.486486179617	0.0173434863965	0.527290007712	8.90510231931	5.74085155955	-81.339297042
40	2.46175992513	1.8714976874	0.580976598147	2.91673500309	-0.255541334346	4.42688858015	-0.481056078686	-0.248709221854	0.0669525640432	-0.297746734693	0.263301441849	0.0506729702727	-0.136325692403	0.293886020924	-0.486197151407	0.400282390661	0.0561771806649	0.0776030613485	0.609880725779	0.02725714104	0.156192810024	7.91445083209	19.3624864525	-86.3353813369
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42	5.48916657344	0.492546133835	0.0469154976478	4.94542320285	0.113757250896	1.9181598601	0.407473119594	0.0104228500124	1.24998362404	0.405562834726	-0.131020988234	-0.557146425078	-0.294275434667	0.22654641157	0.724320992983	0.312454649935	-0.197627140524	0.125308852959	0.546731981059	-0.113752605854	0.596898781367	17.6071081379	28.2686383207	-71.5063544217
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56	7.05678550944	1.55299993965	1.54419439207	4.98127340994	-0.160194837515	4.17524894924	0.413865784784	-0.559994074555	0.111363437259	0.136369722124	-0.559470609676	0.340993826803	0.174210176923	-0.778547721916	0.164019062651	0.256454428683	-0.0615231682909	-0.0197999668589	0.499161650867	-0.000669663110631	0.339148446661	-22.2258998737	0.448842843906	-68.0020841882
57	4.47100480959	-2.80994514175	0.0645554825789	4.68435569041	-2.00182281653	3.27491616643	0.13452398616	-0.221204132518	-0.883746840487	-0.172078805428	-0.00108588145532	0.364308835488	0.162544764247	0.268470884241	-0.0802354314149	0.295225605923	-0.0586264734022	-0.0180324700372	0.485144634823	0.0416464210269	0.497735422667	-10.163830433	3.9722254049	-64.781212748
58	3.42725071168	-1.22072102315	-0.732512816434	3.19757918106	0.0500814593439	3.71372178655	-0.140858904457	0.0316936033625	-0.131341298636	0.492772010086	-0.150674436175	-0.101747058824	0.25085327681	0.235599818481	0.22854656073	0.302032641224	0.0363894099237	0.0563172752747	0.376361714195	-0.0513392351957	0.365870216078	-22.0649387539	3.84424378101	-72.1322819003
59	4.03264716934	2.88936700408	-2.15060657346	4.2750531261	-1.04867839573	1.89113084204	0.242395941372	0.113690158971	-0.700518874233	0.605805171344	-0.122344601984	-0.515667816844	-0.144928691419	0.374284127281	0.00941367329921	0.226115874064	0.0163308625381	-0.105303573655	0.577593243469	-0.0582144970574	0.467069345972	-12.7403507837	-2.2311209024	-77.8253427217
60	0.716507863953	1.57535257758	-0.458265667909	4.30401046032	0.225854399117	2.13076293145	-0.0458811479507	1.00939705756	-0.228591866673	-1.11991761935	0.483948208872	0.916598836231	0.13795525924	0.17248656957	-0.41446463383	0.340605901757	-0.149675498289	-0.0965026442434	0.75000399665	-0.0933127152773	0.491839261711	-22.2388094365	0.424516034388	-83.6567305373
61	2.2143018493	-0.77134761499	-0.414779308868	1.62686852017	0.0511402597808	1.44751451863	-0.38152106034	0.607153064018	0.162247272713	-0.0464576338787	0.119184591153	0.00365519041504	-0.228393732737	0.242599357793	0.188878829122	0.185536620298	-0.0734781721648	-0.0846281818851	0.534677263463	0.0497900323226	0.675278809686	-11.3917313608	3.57629693789	-86.4942639227
62	4.72694611107	0.818555592926	1.72228844581	0.169825198544	0.266098035407	1.06833842549	0.102449784548	1.09278740493	-0.830541388289	-0.183624214951	-0.0608275781286	0.290254961743	0.785788273209	0.193788195489	0.121368634352	0.490273753998	-0.0256460719839	0.0463621950465	0.516941451523	-0.217866963574	0.576554118881	-11.5817487334	-9.0992111635	-87.3480345282
63	0.937243688395	1.30913089704	-0.583062129924	2.62045399305	0.102255477181	3.40989587147	0.243306845733	-0.0663045528558	-0.311145116453	-0.279634254453	-0.103856084593	-0.6190439244	0.452675065368	-0.211339937246	-0.0908587228179	0.212119035917	-0.0456141851914	0.048486218373	0.404148238276	-0.0611495128939	0.45664119632	-2.90800065815	-1.49171825466	-85.3223111018

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 0 through 23 )	A	A	0 - 23	1 - 24
2	2	chain 'A' and (resid 24 through 41 )	A	A	24 - 41	25 - 42
3	3	chain 'A' and (resid 42 through 67 )	A	A	42 - 67	43 - 68
4	4	chain 'A' and (resid 68 through 94 )	A	A	68 - 94	69 - 95
5	5	chain 'A' and (resid 95 through 110 )	A	A	95 - 110	96 - 111
6	6	chain 'A' and (resid 111 through 151 )	A	A	111 - 151	112 - 152
7	7	chain 'B' and (resid 0 through 9 )	B	C	0 - 9	1 - 10
8	8	chain 'B' and (resid 10 through 23 )	B	C	10 - 23	11 - 24
9	9	chain 'B' and (resid 24 through 59 )	B	C	24 - 59	25 - 60
10	10	chain 'B' and (resid 60 through 87 )	B	C	60 - 87	61 - 88
11	11	chain 'B' and (resid 88 through 141 )	B	C	88 - 141	89 - 142
12	12	chain 'B' and (resid 142 through 151 )	B	C	142 - 151	143 - 152
13	13	chain 'C' and (resid 0 through 39 )	C	F	0 - 39	1 - 40
14	14	chain 'C' and (resid 40 through 48 )	C	F	40 - 48	41 - 49
15	15	chain 'C' and (resid 49 through 67 )	C	F	49 - 67	50 - 68
16	16	chain 'C' and (resid 68 through 79 )	C	F	68 - 79	69 - 80
17	17	chain 'C' and (resid 80 through 94 )	C	F	80 - 94	81 - 95
18	18	chain 'C' and (resid 95 through 110 )	C	F	95 - 110	96 - 111
19	19	chain 'C' and (resid 111 through 130 )	C	F	111 - 130	112 - 131
20	20	chain 'C' and (resid 131 through 151 )	C	F	131 - 151	132 - 152
21	21	chain 'D' and (resid 0 through 9 )	D	H	0 - 9	1 - 10
22	22	chain 'D' and (resid 10 through 23 )	D	H	10 - 23	11 - 24
23	23	chain 'D' and (resid 24 through 40 )	D	H	24 - 40	25 - 41
24	24	chain 'D' and (resid 41 through 48 )	D	H	41 - 48	42 - 49
25	25	chain 'D' and (resid 49 through 59 )	D	H	49 - 59	50 - 60
26	26	chain 'D' and (resid 60 through 79 )	D	H	60 - 79	61 - 80
27	27	chain 'D' and (resid 80 through 94 )	D	H	80 - 94	81 - 95
28	28	chain 'D' and (resid 95 through 119 )	D	H	95 - 119	96 - 120
29	29	chain 'D' and (resid 120 through 130 )	D	H	120 - 130	121 - 131
30	30	chain 'D' and (resid 131 through 142 )	D	H	131 - 142	132 - 143
31	31	chain 'D' and (resid 143 through 151 )	D	H	143 - 151	144 - 152
32	32	chain 'E' and (resid 0 through 79 )	E	J	0 - 79	1 - 80
33	33	chain 'E' and (resid 80 through 94 )	E	J	80 - 94	81 - 95
34	34	chain 'E' and (resid 95 through 109 )	E	J	95 - 109	96 - 110
35	35	chain 'E' and (resid 110 through 130 )	E	J	110 - 130	111 - 131
36	36	chain 'E' and (resid 131 through 142 )	E	J	131 - 142	132 - 143
37	37	chain 'E' and (resid 143 through 151 )	E	J	143 - 151	144 - 152
38	38	chain 'F' and (resid 0 through 24 )	F	M	0 - 24	1 - 25
39	39	chain 'F' and (resid 25 through 40 )	F	M	25 - 40	26 - 41
40	40	chain 'F' and (resid 41 through 59 )	F	M	41 - 59	42 - 60
41	41	chain 'F' and (resid 60 through 87 )	F	M	60 - 87	61 - 88
42	42	chain 'F' and (resid 88 through 95 )	F	M	88 - 95	89 - 96
43	43	chain 'F' and (resid 96 through 110 )	F	M	96 - 110	97 - 111
44	44	chain 'F' and (resid 111 through 130 )	F	M	111 - 130	112 - 131
45	45	chain 'F' and (resid 131 through 151 )	F	M	131 - 151	132 - 152
46	46	chain 'G' and (resid 0 through 9 )	G	O	0 - 9	1 - 10
47	47	chain 'G' and (resid 10 through 23 )	G	O	10 - 23	11 - 24
48	48	chain 'G' and (resid 24 through 42 )	G	O	24 - 42	25 - 43
49	49	chain 'G' and (resid 43 through 59 )	G	O	43 - 59	44 - 60
50	50	chain 'G' and (resid 60 through 87 )	G	O	60 - 87	61 - 88
51	51	chain 'G' and (resid 88 through 94 )	G	O	88 - 94	89 - 95
52	52	chain 'G' and (resid 95 through 109 )	G	O	95 - 109	96 - 110
53	53	chain 'G' and (resid 110 through 130 )	G	O	110 - 130	111 - 131
54	54	chain 'G' and (resid 131 through 142 )	G	O	131 - 142	132 - 143
55	55	chain 'G' and (resid 143 through 151 )	G	O	143 - 151	144 - 152
56	56	chain 'H' and (resid 0 through 23 )	H	Q	0 - 23	1 - 24
57	57	chain 'H' and (resid 24 through 40 )	H	Q	24 - 40	25 - 41
58	58	chain 'H' and (resid 41 through 59 )	H	Q	41 - 59	42 - 60
59	59	chain 'H' and (resid 60 through 94 )	H	Q	60 - 94	61 - 95
60	60	chain 'H' and (resid 95 through 110 )	H	Q	95 - 110	96 - 111
61	61	chain 'H' and (resid 111 through 119 )	H	Q	111 - 119	112 - 120
62	62	chain 'H' and (resid 120 through 130 )	H	Q	120 - 130	121 - 131
63	63	chain 'H' and (resid 131 through 151 )	H	Q	131 - 151	132 - 152

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