PDB-10cz: Crystal structure of Pyrobaculum aerophilum L7Ae

ID or keywords:

Entry

Database: PDB / ID: 10cz

Title

Crystal structure of Pyrobaculum aerophilum L7Ae

Components

Large ribosomal subunit protein eL8

Keywords

RNA BINDING PROTEIN / RNase P T type Archaeal

Function / homology

Function and homology information

ribonuclease P activity / tRNA 5'-leader removal / ribosome biogenesis / rRNA binding / ribosome / translation / structural constituent of ribosome / ribonucleoprotein complex / cytoplasm
Similarity search - Function

Biological species

Pyrobaculum aerophilum (archaea)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 1.452 Å

Authors

Chan, C.W. / Mondragon, A.

Funding support

United States, 4items

Organization	Grant number	Country
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R35 GM118108	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	R01 GM058443	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	5T32 GM008382	United States
National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)	4T32 GM008152	United States

Citation

Journal: Nucleic Acids Res. / Year: 2026
Title: Crystal structures of type T archaeal ribonuclease P Rpp30, Rpp30/Pop5, and L7Ae provide insights into a reduced RNase P.
Authors: Chan, C.W. / Mondragon, A.

History

Deposition	Jan 13, 2026	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Aug 26, 2026	Provider: repository / Type: Initial release

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	10cz.cif.gz	633.6 KB	Display	PDBx/mmCIF format
PDB format	pdb10cz.ent.gz	405.3 KB	Display	PDB format
PDBx/mmJSON format	10cz.json.gz		Tree view	PDBx/mmJSON format
Others	Other downloads

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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/0c/10cz ftp://data.pdbj.org/pub/pdb/validation_reports/0c/10cz	HTTPS FTP

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Related structure data

Related structure data	10cwC 10cxC 10cyC 10daC C: citing same article (ref.)
Similar structure data	Similarity search - Function & homologyF&H Search Similarity search - FunctionF&H Search Similarity search - HomologyF&H Search

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Links

PDB pages	PDBj / wwPDB / NCBI
Related items in Molecule of the Month	#260 - Aug 2021 Ribonuclease P similarity (6) #10 - Oct 2000 Ribosome similarity (6) #121 - Jan 2010 70S Ribosomes similarity (6) #161 - May 2013 Ricin similarity (5) #266 - Feb 2022 Oligosaccharyltransferase similarity (3) #4 - Apr 2000 Collagen similarity (1) #116 - Aug 2009 Sulfotransferases similarity (1)

Deposited unit

A: Large ribosomal subunit protein eL8

B: Large ribosomal subunit protein eL8

C: Large ribosomal subunit protein eL8

D: Large ribosomal subunit protein eL8

E: Large ribosomal subunit protein eL8

F: Large ribosomal subunit protein eL8

G: Large ribosomal subunit protein eL8

H: Large ribosomal subunit protein eL8

hetero molecules

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

1

Idetical with deposited unit
defined by author&software

Unit cell

Length a, b, c (Å)	66.513, 94.890, 128.318
Angle α, β, γ (deg.)	90.000, 93.103, 90.000
Int Tables number	4
Space group name H-M	P12₁1

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Auth asym-ID: A / Label asym-ID: A

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth seq-ID	Label seq-ID
1	1	1	ALA	ALA	ARG	ARG	2 - 151	2 - 151
2	1	1	ALA	ALA	ARG	ARG	2 - 151	2 - 151
3	2	2	VAL	VAL	PRO	PRO	3 - 148	3 - 148
4	2	2	VAL	VAL	PRO	PRO	3 - 148	3 - 148
5	3	3	ALA	ALA	PRO	PRO	2 - 148	2 - 148
6	3	3	ALA	ALA	PRO	PRO	2 - 148	2 - 148
7	4	4	VAL	VAL	PRO	PRO	3 - 148	3 - 148
8	4	4	VAL	VAL	PRO	PRO	3 - 148	3 - 148
9	5	5	VAL	VAL	PRO	PRO	3 - 148	3 - 148
10	5	5	VAL	VAL	PRO	PRO	3 - 148	3 - 148
11	6	6	ALA	ALA	PRO	PRO	2 - 148	2 - 148
12	6	6	ALA	ALA	PRO	PRO	2 - 148	2 - 148
13	7	7	ALA	ALA	PRO	PRO	2 - 148	2 - 148
14	7	7	ALA	ALA	PRO	PRO	2 - 148	2 - 148
15	8	8	VAL	VAL	PRO	PRO	3 - 148	3 - 148
16	8	8	VAL	VAL	PRO	PRO	3 - 148	3 - 148
17	9	9	ALA	ALA	PRO	PRO	2 - 148	2 - 148
18	9	9	ALA	ALA	PRO	PRO	2 - 148	2 - 148
19	10	10	VAL	VAL	PRO	PRO	3 - 148	3 - 148
20	10	10	VAL	VAL	PRO	PRO	3 - 148	3 - 148
21	11	11	VAL	VAL	PRO	PRO	3 - 148	3 - 148
22	11	11	VAL	VAL	PRO	PRO	3 - 148	3 - 148
23	12	12	ALA	ALA	PRO	PRO	2 - 148	2 - 148
24	12	12	ALA	ALA	PRO	PRO	2 - 148	2 - 148
25	13	13	ALA	ALA	PRO	PRO	2 - 148	2 - 148
26	13	13	ALA	ALA	PRO	PRO	2 - 148	2 - 148
27	14	14	VAL	VAL	PRO	PRO	3 - 148	3 - 148
28	14	14	VAL	VAL	PRO	PRO	3 - 148	3 - 148
29	15	15	VAL	VAL	ALA	ALA	3 - 149	3 - 149
30	15	15	VAL	VAL	ALA	ALA	3 - 149	3 - 149
31	16	16	VAL	VAL	ALA	ALA	3 - 149	3 - 149
32	16	16	VAL	VAL	ALA	ALA	3 - 149	3 - 149
33	17	17	VAL	VAL	PRO	PRO	3 - 148	3 - 148
34	17	17	VAL	VAL	PRO	PRO	3 - 148	3 - 148
35	18	18	VAL	VAL	PRO	PRO	3 - 148	3 - 148
36	18	18	VAL	VAL	PRO	PRO	3 - 148	3 - 148
37	19	19	VAL	VAL	PRO	PRO	3 - 148	3 - 148
38	19	19	VAL	VAL	PRO	PRO	3 - 148	3 - 148
39	20	20	VAL	VAL	PRO	PRO	3 - 148	3 - 148
40	20	20	VAL	VAL	PRO	PRO	3 - 148	3 - 148
41	21	21	ALA	ALA	ALA	ALA	2 - 149	2 - 149
42	21	21	ALA	ALA	ALA	ALA	2 - 149	2 - 149
43	22	22	ALA	ALA	ALA	ALA	2 - 149	2 - 149
44	22	22	ALA	ALA	ALA	ALA	2 - 149	2 - 149
45	23	23	VAL	VAL	ALA	ALA	3 - 149	3 - 149
46	23	23	VAL	VAL	ALA	ALA	3 - 149	3 - 149
47	24	24	VAL	VAL	PRO	PRO	3 - 148	3 - 148
48	24	24	VAL	VAL	PRO	PRO	3 - 148	3 - 148
49	25	25	VAL	VAL	PRO	PRO	3 - 148	3 - 148
50	25	25	VAL	VAL	PRO	PRO	3 - 148	3 - 148
51	26	26	VAL	VAL	PRO	PRO	3 - 148	3 - 148
52	26	26	VAL	VAL	PRO	PRO	3 - 148	3 - 148
53	27	27	VAL	VAL	PRO	PRO	3 - 148	3 - 148
54	27	27	VAL	VAL	PRO	PRO	3 - 148	3 - 148
55	28	28	ALA	ALA	ALA	ALA	2 - 149	2 - 149
56	28	28	ALA	ALA	ALA	ALA	2 - 149	2 - 149

NCS ensembles :

ID	Details (eV)
1	Local NCS retraints between domains: 1 2
2	Local NCS retraints between domains: 3 4
3	Local NCS retraints between domains: 5 6
4	Local NCS retraints between domains: 7 8
5	Local NCS retraints between domains: 9 10
6	Local NCS retraints between domains: 11 12
7	Local NCS retraints between domains: 13 14
8	Local NCS retraints between domains: 15 16
9	Local NCS retraints between domains: 17 18
10	Local NCS retraints between domains: 19 20
11	Local NCS retraints between domains: 21 22
12	Local NCS retraints between domains: 23 24
13	Local NCS retraints between domains: 25 26
14	Local NCS retraints between domains: 27 28
15	Local NCS retraints between domains: 29 30
16	Local NCS retraints between domains: 31 32
17	Local NCS retraints between domains: 33 34
18	Local NCS retraints between domains: 35 36
19	Local NCS retraints between domains: 37 38
20	Local NCS retraints between domains: 39 40
21	Local NCS retraints between domains: 41 42
22	Local NCS retraints between domains: 43 44
23	Local NCS retraints between domains: 45 46
24	Local NCS retraints between domains: 47 48
25	Local NCS retraints between domains: 49 50
26	Local NCS retraints between domains: 51 52
27	Local NCS retraints between domains: 53 54
28	Local NCS retraints between domains: 55 56

#1: Protein	Large ribosomal subunit protein eL8 / 50S ribosomal protein L7Ae / Ribosomal protein L8e Mass: 16165.843 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pyrobaculum aerophilum (archaea) / Gene: rpl7ae, PAE3347 / Plasmid: pMCSG7 / Production host: Escherichia coli BL21(DE3) (bacteria) / Variant (production host): Rosetta / References: UniProt: Q8ZTA5
#2: Chemical	ChemComp-SO4 / SULFATE ION Mass: 96.063 Da / Num. of mol.: 19 / Source method: obtained synthetically / Formula: SO₄ / Feature type: SUBJECT OF INVESTIGATION
#3: Chemical	ChemComp-GOL / GLYCEROL / GLYCERIN / PROPANE-1,2,3-TRIOL Mass: 92.094 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C₃H₈O₃ / Feature type: SUBJECT OF INVESTIGATION
#4: Chemical	ChemComp-ACY / ACETIC ACID Mass: 60.052 Da / Num. of mol.: 7 / Source method: obtained synthetically / Formula: C₂H₄O₂ / Feature type: SUBJECT OF INVESTIGATION
#5: Water	ChemComp-HOH / water Mass: 18.015 Da / Num. of mol.: 954 / Source method: isolated from a natural source / Formula: H₂O
Has ligand of interest	Y
Has protein modification	N

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 3.13 Å³/Da / Density % sol: 60.66 %
Crystal grow	Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: Crystals were grown by vapor diffusion in 100 mM sodium acetate, pH 4.6, 2 M ammonium sulfate at 295 K. Crystals were cryo-protected in 100 mM sodium acetate, pH 4.6, 2 M ammonium sulfate, ...Details: Crystals were grown by vapor diffusion in 100 mM sodium acetate, pH 4.6, 2 M ammonium sulfate at 295 K. Crystals were cryo-protected in 100 mM sodium acetate, pH 4.6, 2 M ammonium sulfate, 20% (v/v) glycerol and flash frozen with liquid nitrogen.

Crystal

Density Matthews: 3.13 Å³/Da / Density % sol: 60.66 %

Crystal grow

Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 4.6
Details: Crystals were grown by vapor diffusion in 100 mM sodium acetate, pH 4.6, 2 M ammonium sulfate at 295 K. Crystals were cryo-protected in 100 mM sodium acetate, pH 4.6, 2 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: 21-ID-G / Wavelength: 0.97856 Å
Detector	Type: RAYONIX MX-300 / Detector: CCD / Date: Mar 16, 2016 / Details: Mirrors
Radiation	Monochromator: Kohzu monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 0.97856 Å / Relative weight: 1
Reflection	Resolution: 1.45→19.95 Å / Num. obs: 239142 / % possible obs: 85.5 % / Redundancy: 4.6 % / CC_1/2: 0.998 / R_merge(I) obs: 0.052 / R_rim(I) all: 0.058 / Net I/σ(I): 13.8
Reflection shell	Resolution: 1.45→1.53 Å / Redundancy: 4.7 % / R_merge(I) obs: 0.775 / Mean I/σ(I) obs: 1.7 / Num. unique obs: 11926 / CC_1/2: 0.699 / R_rim(I) all: 0.873 / % possible all: 28.7

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Processing

Software

Name	Version	Classification
REFMAC	5.8.0419	refinement
XDS		data reduction
STARANISO		data scaling
PHASER		phasing

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 1.452→19.95 Å / Cor.coef. F_o:F_c: 0.97 / Cor.coef. F_o:F_c free: 0.964 / SU B: 2.683 / SU ML: 0.048 / Cross valid method: FREE R-VALUE / ESU R: 0.064 / ESU R Free: 0.063
Details: Hydrogens have been added in their riding positions

	R_factor	Num. reflection	% reflection
R_free	0.1865	12016	5.025 %
R_work	0.1704	227098	-
all	0.171	-	-
obs	-	239114	85.467 %

Solvent computation

Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT

Displacement parameters

B_iso mean: 21.51 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	-1.638 Å²	-0 Å²	-1.814 Å²
2-	-	1.395 Å²	0 Å²
3-	-	-	0.438 Å²

Refinement step

Cycle: LAST / Resolution: 1.452→19.95 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	8899	0	135	954	9988

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.009	0.012	9909
X-RAY DIFFRACTION	r_bond_other_d	0.001	0.016	10019
X-RAY DIFFRACTION	r_angle_refined_deg	1.676	1.865	13645
X-RAY DIFFRACTION	r_angle_other_deg	0.567	1.757	23402
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	5.699	5	1372
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	10.748	5	36
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	11.35	10	1773
X-RAY DIFFRACTION	r_dihedral_angle_6_deg	15.812	10	365
X-RAY DIFFRACTION	r_chiral_restr	0.089	0.2	1626
X-RAY DIFFRACTION	r_gen_planes_refined	0.008	0.02	11313
X-RAY DIFFRACTION	r_gen_planes_other	0.001	0.02	1779
X-RAY DIFFRACTION	r_nbd_refined	0.226	0.2	1868
X-RAY DIFFRACTION	r_symmetry_nbd_other	0.186	0.2	8413
X-RAY DIFFRACTION	r_nbtor_refined	0.172	0.2	4659
X-RAY DIFFRACTION	r_symmetry_nbtor_other	0.076	0.2	4777
X-RAY DIFFRACTION	r_xyhbond_nbd_refined	0.194	0.2	632
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_other	0.005	0.2	1
X-RAY DIFFRACTION	r_symmetry_nbd_refined	0.188	0.2	17
X-RAY DIFFRACTION	r_nbd_other	0.181	0.2	49
X-RAY DIFFRACTION	r_symmetry_xyhbond_nbd_refined	0.112	0.2	19
X-RAY DIFFRACTION	r_mcbond_it	1.272	0.875	5017
X-RAY DIFFRACTION	r_mcbond_other	1.232	0.869	5010
X-RAY DIFFRACTION	r_mcangle_it	2.078	1.555	6316
X-RAY DIFFRACTION	r_mcangle_other	2.08	1.556	6317
X-RAY DIFFRACTION	r_scbond_it	2.42	1.171	4892
X-RAY DIFFRACTION	r_scbond_other	2.42	1.172	4893
X-RAY DIFFRACTION	r_scangle_it	3.634	2.013	7245
X-RAY DIFFRACTION	r_scangle_other	3.634	2.014	7246
X-RAY DIFFRACTION	r_lrange_it	6.099	10.202	10706
X-RAY DIFFRACTION	r_lrange_other	6.099	10.205	10707
X-RAY DIFFRACTION	r_ncsr_local_group_1	0.068	0.05	4755
X-RAY DIFFRACTION	r_ncsr_local_group_2	0.059	0.05	4712
X-RAY DIFFRACTION	r_ncsr_local_group_3	0.076	0.05	4693
X-RAY DIFFRACTION	r_ncsr_local_group_4	0.098	0.05	4592
X-RAY DIFFRACTION	r_ncsr_local_group_5	0.097	0.05	4577
X-RAY DIFFRACTION	r_ncsr_local_group_6	0.101	0.05	4579
X-RAY DIFFRACTION	r_ncsr_local_group_7	0.097	0.05	4602
X-RAY DIFFRACTION	r_ncsr_local_group_8	0.072	0.05	4754
X-RAY DIFFRACTION	r_ncsr_local_group_9	0.071	0.05	4822
X-RAY DIFFRACTION	r_ncsr_local_group_10	0.092	0.05	4721
X-RAY DIFFRACTION	r_ncsr_local_group_11	0.092	0.05	4702
X-RAY DIFFRACTION	r_ncsr_local_group_12	0.096	0.05	4698
X-RAY DIFFRACTION	r_ncsr_local_group_13	0.089	0.05	4728
X-RAY DIFFRACTION	r_ncsr_local_group_14	0.076	0.05	4626
X-RAY DIFFRACTION	r_ncsr_local_group_15	0.101	0.05	4564
X-RAY DIFFRACTION	r_ncsr_local_group_16	0.095	0.05	4530
X-RAY DIFFRACTION	r_ncsr_local_group_17	0.099	0.05	4531
X-RAY DIFFRACTION	r_ncsr_local_group_18	0.095	0.05	4539
X-RAY DIFFRACTION	r_ncsr_local_group_19	0.096	0.05	4571
X-RAY DIFFRACTION	r_ncsr_local_group_20	0.098	0.05	4576
X-RAY DIFFRACTION	r_ncsr_local_group_21	0.098	0.05	4588
X-RAY DIFFRACTION	r_ncsr_local_group_22	0.099	0.05	4614
X-RAY DIFFRACTION	r_ncsr_local_group_23	0.078	0.05	4750
X-RAY DIFFRACTION	r_ncsr_local_group_24	0.067	0.05	4815
X-RAY DIFFRACTION	r_ncsr_local_group_25	0.073	0.05	4746
X-RAY DIFFRACTION	r_ncsr_local_group_26	0.078	0.05	4616
X-RAY DIFFRACTION	r_ncsr_local_group_27	0.054	0.05	4683
X-RAY DIFFRACTION	r_ncsr_local_group_28	0.079	0.05	4762

Refine LS restraints NCS

Ens-ID	Dom-ID	Auth asym-ID	Refine-ID	Type	Rms dev position (Å)	Weight position
1	1	A	X-RAY DIFFRACTION	Local ncs	0.06806	0.0501
1	2	A	X-RAY DIFFRACTION	Local ncs	0.06806	0.0501
2	3	A	X-RAY DIFFRACTION	Local ncs	0.05915	0.0501
2	4	A	X-RAY DIFFRACTION	Local ncs	0.05915	0.0501
3	5	A	X-RAY DIFFRACTION	Local ncs	0.07637	0.05009
3	6	A	X-RAY DIFFRACTION	Local ncs	0.07637	0.05009
4	7	A	X-RAY DIFFRACTION	Local ncs	0.09753	0.05009
4	8	A	X-RAY DIFFRACTION	Local ncs	0.09753	0.05009
5	9	A	X-RAY DIFFRACTION	Local ncs	0.09734	0.05009
5	10	A	X-RAY DIFFRACTION	Local ncs	0.09734	0.05009
6	11	A	X-RAY DIFFRACTION	Local ncs	0.10139	0.05009
6	12	A	X-RAY DIFFRACTION	Local ncs	0.10139	0.05009
7	13	A	X-RAY DIFFRACTION	Local ncs	0.09725	0.05009
7	14	A	X-RAY DIFFRACTION	Local ncs	0.09725	0.05009
8	15	A	X-RAY DIFFRACTION	Local ncs	0.07179	0.0501
8	16	A	X-RAY DIFFRACTION	Local ncs	0.07179	0.0501
9	17	A	X-RAY DIFFRACTION	Local ncs	0.0705	0.0501
9	18	A	X-RAY DIFFRACTION	Local ncs	0.0705	0.0501
10	19	A	X-RAY DIFFRACTION	Local ncs	0.09223	0.05009
10	20	A	X-RAY DIFFRACTION	Local ncs	0.09223	0.05009
11	21	A	X-RAY DIFFRACTION	Local ncs	0.09172	0.05009
11	22	A	X-RAY DIFFRACTION	Local ncs	0.09172	0.05009
12	23	A	X-RAY DIFFRACTION	Local ncs	0.09574	0.05009
12	24	A	X-RAY DIFFRACTION	Local ncs	0.09574	0.05009
13	25	A	X-RAY DIFFRACTION	Local ncs	0.08931	0.05009
13	26	A	X-RAY DIFFRACTION	Local ncs	0.08931	0.05009
14	27	A	X-RAY DIFFRACTION	Local ncs	0.0758	0.0501
14	28	A	X-RAY DIFFRACTION	Local ncs	0.0758	0.0501
15	29	A	X-RAY DIFFRACTION	Local ncs	0.10118	0.05009
15	30	A	X-RAY DIFFRACTION	Local ncs	0.10118	0.05009
16	31	A	X-RAY DIFFRACTION	Local ncs	0.09505	0.05009
16	32	A	X-RAY DIFFRACTION	Local ncs	0.09505	0.05009
17	33	A	X-RAY DIFFRACTION	Local ncs	0.09914	0.05009
17	34	A	X-RAY DIFFRACTION	Local ncs	0.09914	0.05009
18	35	A	X-RAY DIFFRACTION	Local ncs	0.09534	0.05009
18	36	A	X-RAY DIFFRACTION	Local ncs	0.09534	0.05009
19	37	A	X-RAY DIFFRACTION	Local ncs	0.0956	0.05009
19	38	A	X-RAY DIFFRACTION	Local ncs	0.0956	0.05009
20	39	A	X-RAY DIFFRACTION	Local ncs	0.09843	0.05009
20	40	A	X-RAY DIFFRACTION	Local ncs	0.09843	0.05009
21	41	A	X-RAY DIFFRACTION	Local ncs	0.09753	0.05009
21	42	A	X-RAY DIFFRACTION	Local ncs	0.09753	0.05009
22	43	A	X-RAY DIFFRACTION	Local ncs	0.09931	0.05009
22	44	A	X-RAY DIFFRACTION	Local ncs	0.09931	0.05009
23	45	A	X-RAY DIFFRACTION	Local ncs	0.07798	0.0501
23	46	A	X-RAY DIFFRACTION	Local ncs	0.07798	0.0501
24	47	A	X-RAY DIFFRACTION	Local ncs	0.0665	0.0501
24	48	A	X-RAY DIFFRACTION	Local ncs	0.0665	0.0501
25	49	A	X-RAY DIFFRACTION	Local ncs	0.07339	0.0501
25	50	A	X-RAY DIFFRACTION	Local ncs	0.07339	0.0501
26	51	A	X-RAY DIFFRACTION	Local ncs	0.07819	0.0501
26	52	A	X-RAY DIFFRACTION	Local ncs	0.07819	0.0501
27	53	A	X-RAY DIFFRACTION	Local ncs	0.05388	0.0501
27	54	A	X-RAY DIFFRACTION	Local ncs	0.05388	0.0501
28	55	A	X-RAY DIFFRACTION	Local ncs	0.07929	0.0501
28	56	A	X-RAY DIFFRACTION	Local ncs	0.07929	0.0501

LS refinement shell

Resolution (Å)	R_factor R_free	Num. reflection R_free	R_factor R_work	Num. reflection R_work	Refine-ID	% reflection obs (%)
1.452-1.49	0.298	121	0.277	2330	X-RAY DIFFRACTION	11.9695
1.49-1.53	0.258	451	0.266	8384	X-RAY DIFFRACTION	44.1221
1.53-1.574	0.253	679	0.255	12921	X-RAY DIFFRACTION	69.9049
1.574-1.622	0.249	871	0.242	16700	X-RAY DIFFRACTION	92.6838
1.622-1.675	0.241	872	0.223	16866	X-RAY DIFFRACTION	96.9078
1.675-1.734	0.229	860	0.206	16365	X-RAY DIFFRACTION	97.0641
1.734-1.798	0.219	866	0.193	15788	X-RAY DIFFRACTION	97.0569
1.798-1.871	0.192	778	0.181	15315	X-RAY DIFFRACTION	97.5925
1.871-1.954	0.182	777	0.172	14665	X-RAY DIFFRACTION	97.4013
1.954-2.048	0.19	711	0.176	14109	X-RAY DIFFRACTION	98.0483
2.048-2.158	0.188	720	0.165	13410	X-RAY DIFFRACTION	97.7516
2.158-2.287	0.177	713	0.156	12659	X-RAY DIFFRACTION	98.1864
2.287-2.442	0.174	674	0.153	12001	X-RAY DIFFRACTION	98.6612
2.442-2.635	0.175	610	0.158	11259	X-RAY DIFFRACTION	98.6371
2.635-2.881	0.192	520	0.164	10376	X-RAY DIFFRACTION	98.7135
2.881-3.213	0.186	495	0.165	9438	X-RAY DIFFRACTION	98.9934
3.213-3.694	0.173	480	0.158	8326	X-RAY DIFFRACTION	99.0774
3.694-4.486	0.149	365	0.14	7156	X-RAY DIFFRACTION	99.3396
4.486-6.19	0.19	288	0.169	5631	X-RAY DIFFRACTION	99.3788
6.19-19.95	0.189	165	0.192	3399	X-RAY DIFFRACTION	98.263

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	0.5811	-0.0019	0.4742	0.5371	-0.1509	1.1476	0.0243	-0.0128	0.0006	-0.0192	-0.0252	-0.0064	0.0608	0.0349	0.0009	0.1911	0.0107	0.0944	0.0615	0.0085	0.1036	108.422	-98.653	49.66
2	0.6886	0.2114	-0.8306	0.5475	-0.4539	1.3069	0.0389	0.0078	0.0297	0.0198	-0.0599	0.0104	0.0014	0.0785	0.021	0.1798	-0.0122	0.1009	0.0858	0.0156	0.0954	110.351	-94.209	15.622
3	1.2787	-0.0142	0.953	0.3566	-0.1328	1.7575	0.0574	0.0651	-0.0824	0.0119	0.0699	0.0221	0.0375	-0.0446	-0.1273	0.167	-0.0024	0.0792	0.0693	0.0133	0.11	77.225	-93.174	14.283
4	2.2194	-0.2151	-1.7747	0.2528	0.0758	2.1212	0.0615	-0.0039	0.1855	0.0047	0.056	-0.0075	0.0708	-0.077	-0.1175	0.1533	-0.0129	0.0998	0.0659	0.0025	0.1235	75.228	-99.261	47.254
5	0.3476	-0.3013	-0.1447	0.655	0.7875	1.23	-0.0311	-0.0353	0.0384	0.0281	0.0386	0.0033	0.0296	0.0489	-0.0074	0.2241	0.005	0.1136	0.035	-0.0248	0.1315	92.766	-69.14	50.197
6	0.2153	0.1946	0.038	0.6041	-0.443	0.9111	-0.033	-0.0095	0.0305	-0.1549	0.0406	-0.015	-0.0932	0.0402	-0.0076	0.3064	-0.0476	0.1358	0.0346	-0.0016	0.1195	92.502	-64.632	22.837
7	0.4156	0.1857	-0.0981	0.7211	0.7706	1.1245	-0.0059	0.0565	-0.0827	-0.0027	0.0294	-0.0139	-0.0765	0.0306	-0.0235	0.2235	-0.0081	0.0896	0.0525	-0.0448	0.1063	94.614	-123.453	13.402
8	0.347	0.0439	-0.2044	0.8208	-0.3656	0.6391	-0.0285	0.0153	-0.0642	0.1299	0.0162	0.0005	0.0629	0.0321	0.0123	0.3138	0.0316	0.104	0.0084	0.0062	0.1085	91.385	-127.903	40.508

Refinement TLS group

Selection: ALL

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