PDB-4kod: Structure of p97 N-D1 R155H mutant in complex with ADP

ID or keywords:

Entry

Database: PDB / ID: 4kod

Title

Structure of p97 N-D1 R155H mutant in complex with ADP

Components

Transitional endoplasmic reticulum ATPase

Keywords

HYDROLASE /

AAA ATPase /

Transport protein

Function / homology

Function and homology information

positive regulation of Lys63-specific deubiquitinase activity / flavin adenine dinucleotide catabolic process / positive regulation of oxidative phosphorylation / VCP-NSFL1C complex / protein-DNA covalent cross-linking repair / endosome to lysosome transport via multivesicular body sorting pathway / endoplasmic reticulum stress-induced pre-emptive quality control / cellular response to arsenite ion / BAT3 complex binding / Derlin-1 retrotranslocation complex ...positive regulation of Lys63-specific deubiquitinase activity / flavin adenine dinucleotide catabolic process / positive regulation of oxidative phosphorylation / VCP-NSFL1C complex / protein-DNA covalent cross-linking repair / endosome to lysosome transport via multivesicular body sorting pathway / endoplasmic reticulum stress-induced pre-emptive quality control / cellular response to arsenite ion / BAT3 complex binding / Derlin-1 retrotranslocation complex / positive regulation of protein K63-linked deubiquitination / deubiquitinase activator activity / mitotic spindle disassembly / VCP-NPL4-UFD1 AAA ATPase complex /

aggresome assembly / regulation of protein localization to chromatin / NADH metabolic process /

vesicle-fusing ATPase / cellular response to misfolded protein /

: / positive regulation of mitochondrial membrane potential / stress granule disassembly / K48-linked polyubiquitin modification-dependent protein binding / negative regulation of protein localization to chromatin / ERAD pathway / ubiquitin-modified protein reader activity / retrograde protein transport, ER to cytosol /

regulation of aerobic respiration /

ATPase complex / regulation of synapse organization / positive regulation of ATP biosynthetic process / ubiquitin-specific protease binding / ubiquitin-like protein ligase binding / autophagosome maturation / RHOH GTPase cycle / polyubiquitin modification-dependent protein binding / HSF1 activation /

translesion synthesis / endoplasmic reticulum to Golgi vesicle-mediated transport / MHC class I protein binding /

Protein methylation / interstrand cross-link repair / negative regulation of smoothened signaling pathway / Attachment and Entry / ATP metabolic process / : / endoplasmic reticulum unfolded protein response /

proteasome complex /

lipid droplet / viral genome replication / Josephin domain DUBs / N-glycan trimming in the ER and Calnexin/Calreticulin cycle /

ADP binding / proteasomal protein catabolic process / Hh mutants are degraded by ERAD / positive regulation of protein-containing complex assembly / Defective CFTR causes cystic fibrosis / Hedgehog ligand biogenesis /

macroautophagy / Translesion Synthesis by POLH / ABC-family proteins mediated transport / establishment of protein localization /

autophagy / Aggrephagy / cytoplasmic stress granule / positive regulation of non-canonical NF-kappaB signal transduction / positive regulation of canonical Wnt signaling pathway / positive regulation of protein catabolic process / activation of cysteine-type endopeptidase activity involved in apoptotic process / double-strand break repair / KEAP1-NFE2L2 pathway / azurophil granule lumen / Ovarian tumor domain proteases / positive regulation of proteasomal ubiquitin-dependent protein catabolic process / E3 ubiquitin ligases ubiquitinate target proteins / site of double-strand break / cellular response to heat /

Neddylation / ubiquitin-dependent protein catabolic process / proteasome-mediated ubiquitin-dependent protein catabolic process /

protein phosphatase binding / regulation of apoptotic process / secretory granule lumen / ficolin-1-rich granule lumen / Attachment and Entry / protein ubiquitination / protein domain specific binding /

DNA repair / intracellular membrane-bounded organelle /

lipid binding / glutamatergic synapse / DNA damage response /

ubiquitin protein ligase binding / Neutrophil degranulation / endoplasmic reticulum membrane / perinuclear region of cytoplasm /

endoplasmic reticulum /

ATP hydrolysis activity / protein-containing complex /

Biological species

Homo sapiens (human)

Method

X-RAY DIFFRACTION /

SYNCHROTRON /

MOLECULAR REPLACEMENT / Resolution: 2.96 Å

Authors

Xia, D. / Tang, W.K.

Citation

Journal: J.Biol.Chem. / Year: 2013
Title: Altered Intersubunit Communication Is the Molecular Basis for Functional Defects of Pathogenic p97 Mutants.
Authors: Tang, W.K. / Xia, D.

History

Deposition	May 11, 2013	Deposition site: RCSB / Processing site: RCSB
Revision 1.0	Nov 13, 2013	Provider: repository / Type: Initial release
Revision 1.1	Jan 8, 2014	Group: Database references
Revision 1.2	Feb 28, 2024	Group: Data collection / Database references ...Data collection / Database references / Derived calculations / Refinement description Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / struct_ncs_dom_lim / struct_ref_seq_dif / struct_site Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession ..._database_2.pdbx_DOI / _database_2.pdbx_database_accession / _struct_ncs_dom_lim.beg_auth_comp_id / _struct_ncs_dom_lim.beg_label_asym_id / _struct_ncs_dom_lim.beg_label_comp_id / _struct_ncs_dom_lim.beg_label_seq_id / _struct_ncs_dom_lim.end_auth_comp_id / _struct_ncs_dom_lim.end_label_asym_id / _struct_ncs_dom_lim.end_label_comp_id / _struct_ncs_dom_lim.end_label_seq_id / _struct_ref_seq_dif.details / _struct_site.pdbx_auth_asym_id / _struct_site.pdbx_auth_comp_id / _struct_site.pdbx_auth_seq_id

Structure viewer	Molecule: MolmilJmol/JSmol

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Download

PDBx/mmCIF format	4kod.cif.gz	2.1 MB	Display	PDBx/mmCIF format
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Validation report

Arichive directory	https://data.pdbj.org/pub/pdb/validation_reports/ko/4kod ftp://data.pdbj.org/pub/pdb/validation_reports/ko/4kod	HTTPS FTP

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Related structure data

Related structure data	4klnC 4ko8C C: citing same article (ref.)
Similar structure data	5dyi-2 5dyi-1 1e32-1 5dyg-1 3862 5oyi-d Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) Search similar-shape structures by Omokage search (details) 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	#80 - Aug 2006 AAA+ Proteases similarity (14) #167 - Nov 2013 SNARE Proteins similarity (13) #60 - Dec 2004 Ubiquitin similarity (2) #144 - Dec 2011 Complex I similarity (1) #214 - Oct 2017 Chimeric Antigen Receptors similarity (1) #246 - Jun 2020 SARS-CoV-2 Spike similarity (1) #166 - Oct 2013 Proteasome similarity (4) #35 - Nov 2002 Ferritin and Transferrin similarity (1) #44 - Aug 2003 Calmodulin similarity (1) #234 - Jun 2019 MDM2 and Cancer similarity (2) #196 - Apr 2016 Lead Poisoning similarity (1) #28 - Apr 2002 Anthrax Toxin similarity (1) #264 - Dec 2021 SARS-CoV-2 Spike Variants similarity (1) #266 - Feb 2022 Oligosaccharyltransferase similarity (1)

PDB pages

PDBj /

wwPDB /

NCBI

Related items in Molecule of the Month

#80 - Aug 2006
AAA+ Proteases
similarity (14)
#167 - Nov 2013
SNARE Proteins
similarity (13)
#60 - Dec 2004
Ubiquitin
similarity (2)
#144 - Dec 2011
Complex I
similarity (1)
#214 - Oct 2017
Chimeric Antigen Receptors
similarity (1)
#246 - Jun 2020
SARS-CoV-2 Spike
similarity (1)
#166 - Oct 2013
Proteasome
similarity (4)
#35 - Nov 2002
Ferritin and Transferrin
similarity (1)
#44 - Aug 2003
Calmodulin
similarity (1)
#234 - Jun 2019
MDM2 and Cancer
similarity (2)
#196 - Apr 2016
Lead Poisoning
similarity (1)
#28 - Apr 2002
Anthrax Toxin
similarity (1)
#264 - Dec 2021
SARS-CoV-2 Spike Variants
similarity (1)
#266 - Feb 2022
Oligosaccharyltransferase
similarity (1)

Deposited unit

A: Transitional endoplasmic reticulum ATPase

B: Transitional endoplasmic reticulum ATPase

C: Transitional endoplasmic reticulum ATPase

D: Transitional endoplasmic reticulum ATPase

E: Transitional endoplasmic reticulum ATPase

F: Transitional endoplasmic reticulum ATPase

G: Transitional endoplasmic reticulum ATPase

H: Transitional endoplasmic reticulum ATPase

I: Transitional endoplasmic reticulum ATPase

J: Transitional endoplasmic reticulum ATPase

K: Transitional endoplasmic reticulum ATPase

L: Transitional endoplasmic reticulum ATPase

hetero molecules

660 kDa, 12 polymers
Search similar-shape structures of this assembly by Omokage search (details)

1

A: Transitional endoplasmic reticulum ATPase

B: Transitional endoplasmic reticulum ATPase

C: Transitional endoplasmic reticulum ATPase

D: Transitional endoplasmic reticulum ATPase

E: Transitional endoplasmic reticulum ATPase

F: Transitional endoplasmic reticulum ATPase

hetero molecules

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

2

G: Transitional endoplasmic reticulum ATPase

H: Transitional endoplasmic reticulum ATPase

I: Transitional endoplasmic reticulum ATPase

J: Transitional endoplasmic reticulum ATPase

K: Transitional endoplasmic reticulum ATPase

L: Transitional endoplasmic reticulum ATPase

hetero molecules

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

Unit cell

Length a, b, c (Å)	146.520, 170.737, 256.601
Angle α, β, γ (deg.)	90.00, 90.00, 90.00
Int Tables number	19
Space group name H-M	P2₁2₁2₁

Noncrystallographic symmetry (NCS)

NCS domain:
NCS domain segments:

Refine code: 1

Dom-ID	Component-ID	Ens-ID	Beg auth comp-ID	Beg label comp-ID	End auth comp-ID	End label comp-ID	Auth asym-ID	Label asym-ID	Auth seq-ID	Label seq-ID
1	1	1	VAL	VAL	ASP	ASP	A	A	201 - 431	201 - 431
2	1	1	VAL	VAL	ASP	ASP	B	B	201 - 431	201 - 431
3	1	1	VAL	VAL	ASP	ASP	C	C	201 - 431	201 - 431
4	1	1	VAL	VAL	ASP	ASP	D	D	201 - 431	201 - 431
5	1	1	VAL	VAL	ASP	ASP	E	E	201 - 431	201 - 431
6	1	1	VAL	VAL	ASP	ASP	F	F	201 - 431	201 - 431
7	1	1	VAL	VAL	ASP	ASP	G	G	201 - 431	201 - 431
8	1	1	VAL	VAL	ASP	ASP	H	H	201 - 431	201 - 431
9	1	1	VAL	VAL	ASP	ASP	I	I	201 - 431	201 - 431
10	1	1	VAL	VAL	ASP	ASP	J	J	201 - 431	201 - 431
11	1	1	VAL	VAL	ASP	ASP	L	L	201 - 431	201 - 431
1	2	1	GLU	GLU	SER	SER	A	A	435 - 459	435 - 459
2	2	1	GLU	GLU	SER	SER	B	B	435 - 459	435 - 459
3	2	1	GLU	GLU	SER	SER	C	C	435 - 459	435 - 459
4	2	1	GLU	GLU	SER	SER	D	D	435 - 459	435 - 459
5	2	1	GLU	GLU	SER	SER	E	E	435 - 459	435 - 459
6	2	1	GLU	GLU	SER	SER	F	F	435 - 459	435 - 459
7	2	1	GLU	GLU	SER	SER	G	G	435 - 459	435 - 459
8	2	1	GLU	GLU	SER	SER	H	H	435 - 459	435 - 459
9	2	1	GLU	GLU	SER	SER	I	I	435 - 459	435 - 459
10	2	1	GLU	GLU	SER	SER	J	J	435 - 459	435 - 459
11	2	1	GLU	GLU	SER	SER	L	L	435 - 459	435 - 459
1	3	1	ADP	ADP	ADP	ADP	A	M	800
2	3	1	ADP	ADP	ADP	ADP	B	N	800
3	3	1	ADP	ADP	ADP	ADP	C	O	800
4	3	1	ADP	ADP	ADP	ADP	D	P	800
5	3	1	ADP	ADP	ADP	ADP	E	Q	800
6	3	1	ADP	ADP	ADP	ADP	F	R	800
7	3	1	ADP	ADP	ADP	ADP	G	S	800
8	3	1	ADP	ADP	ADP	ADP	H	T	800
9	3	1	ADP	ADP	ADP	ADP	I	U	800
10	3	1	ADP	ADP	ADP	ADP	J	V	800
11	3	1	ADP	ADP	ADP	ADP	L	X	800
1	1	2	ASN	ASN	ASP	ASP	A	A	24 - 107	24 - 107
2	1	2	ASN	ASN	ASP	ASP	C	C	24 - 107	24 - 107
3	1	2	ASN	ASN	ASP	ASP	D	D	24 - 107	24 - 107
4	1	2	ASN	ASN	ASP	ASP	E	E	24 - 107	24 - 107
5	1	2	ASN	ASN	ASP	ASP	G	G	24 - 107	24 - 107
6	1	2	ASN	ASN	ASP	ASP	I	I	24 - 107	24 - 107
7	1	2	ASN	ASN	ASP	ASP	J	J	24 - 107	24 - 107
8	1	2	ASN	ASN	ASP	ASP	K	K	24 - 107	24 - 107
1	2	2	VAL	VAL	GLU	GLU	A	A	108 - 195	108 - 195
2	2	2	VAL	VAL	GLU	GLU	C	C	108 - 195	108 - 195
3	2	2	VAL	VAL	GLU	GLU	D	D	108 - 195	108 - 195
4	2	2	VAL	VAL	GLU	GLU	E	E	108 - 195	108 - 195
5	2	2	VAL	VAL	GLU	GLU	G	G	108 - 195	108 - 195
6	2	2	VAL	VAL	GLU	GLU	I	I	108 - 195	108 - 195
7	2	2	VAL	VAL	GLU	GLU	J	J	108 - 195	108 - 195
8	2	2	VAL	VAL	GLU	GLU	K	K	108 - 195	108 - 195
1	1	3	ASP	ASP	ASP	ASP	A	A	368 - 431	368 - 431
2	1	3	ASP	ASP	ASP	ASP	K	K	368 - 431	368 - 431
1	2	3	GLU	GLU	SER	SER	A	A	435 - 459	435 - 459
2	2	3	GLU	GLU	SER	SER	K	K	435 - 459	435 - 459
1	3	3	ADP	ADP	ADP	ADP	A	M	800
2	3	3	ADP	ADP	ADP	ADP	K	W	800
1	4	3	GLU	GLU	LYS	LYS	A	A	200 - 236	200 - 236
2	4	3	GLU	GLU	LYS	LYS	K	K	200 - 236	200 - 236
1	5	3	PRO	PRO	ALA	ALA	A	A	246 - 264	246 - 264
2	5	3	PRO	PRO	ALA	ALA	K	K	246 - 264	246 - 264
1	1	4	ASN	ASN	ASP	ASP	A	A	24 - 107	24 - 107
2	1	4	ASN	ASN	ASP	ASP	L	L	24 - 107	24 - 107
1	2	4	VAL	VAL	GLU	GLU	A	A	108 - 195	108 - 195
2	2	4	VAL	VAL	GLU	GLU	L	L	108 - 195	108 - 195
1	1	5	ASN	ASN	LEU	LEU	A	A	24 - 51	24 - 51
2	1	5	ASN	ASN	LEU	LEU	F	F	24 - 51	24 - 51
1	2	5	ARG	ARG	ASP	ASP	A	A	53 - 107	53 - 107
2	2	5	ARG	ARG	ASP	ASP	F	F	53 - 107	53 - 107
1	3	5	VAL	VAL	GLU	GLU	A	A	116 - 195	116 - 195
2	3	5	VAL	VAL	GLU	GLU	F	F	116 - 195	116 - 195
1	1	6	ASN	ASN	LEU	LEU	A	A	24 - 51	24 - 51
2	1	6	ASN	ASN	LEU	LEU	H	H	24 - 51	24 - 51
1	2	6	ARG	ARG	ASP	ASP	A	A	53 - 107	53 - 107
2	2	6	ARG	ARG	ASP	ASP	H	H	53 - 107	53 - 107
1	3	6	VAL	VAL	GLU	GLU	A	A	108 - 195	108 - 195
2	3	6	VAL	VAL	GLU	GLU	H	H	108 - 195	108 - 195
1	1	7	ASN	ASN	ASP	ASP	A	A	24 - 107	24 - 107
2	1	7	ASN	ASN	ASP	ASP	B	B	24 - 107	24 - 107
1	2	7	VAL	VAL	GLU	GLU	A	A	108 - 195	108 - 195
2	2	7	VAL	VAL	GLU	GLU	B	B	108 - 195	108 - 195

NCS ensembles :

ID
1
2
3
4
5
6
7

#1: Protein	Transitional endoplasmic reticulum ATPase / TER ATPase / 15S Mg(2+)-ATPase p97 subunit / Valosin-containing protein / VCP Mass: 54562.266 Da / Num. of mol.: 12 / Fragment: UNP residue 1-481 / Mutation: R155HH Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: p97, VCP / Production host: Escherichia coli (E. coli) / References: UniProt: P55072, vesicle-fusing ATPase
#2: Chemical	ChemComp-ADP / ADENOSINE-5'-DIPHOSPHATE / Adenosine diphosphate Mass: 427.201 Da / Num. of mol.: 12 / Source method: obtained synthetically / Formula: C₁₀H₁₅N₅O₁₀P₂ / Comment: ADP, energy-carrying molecule*YM
#3: Water	ChemComp-HOH / water / Water Mass: 18.015 Da / Num. of mol.: 168 / Source method: isolated from a natural source / Formula: H₂O

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Experiment

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

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Sample preparation

Crystal	Density Matthews: 2.45 Å³/Da / Density % sol: 49.82 %
Crystal grow	Temperature: 288 K / Method: vapor diffusion, sitting drop / pH: 5.8 Details: 0.1M citrate, pH 5.8, 0.3M NaCl, 13.6% EPG 3350, 20% glycerol, 0.625% benzamidine, VAPOR DIFFUSION, SITTING DROP, temperature 288K

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Data collection

Diffraction	Mean temperature: 100 K
Diffraction source	Source: SYNCHROTRON / Site: APS / Beamline: 22-BM / Wavelength: 1 Å
Detector	Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jan 1, 2008
Radiation	Monochromator: Si / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength	Wavelength: 1 Å / Relative weight: 1
Reflection	Resolution: 2.69→21.99 Å / Num. obs: 118808 / % possible obs: 88.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): -3
Reflection shell	Resolution: 2.95→3.06 Å / % possible all: 51.3

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Processing

Software

Name	Version	Classification
HKL-2000		data collection
MOLREP		phasing
REFMAC	5.5.0102	refinement
DENZO		data reduction
SCALEPACK		data scaling

Refinement

Method to determine structure:

MOLECULAR REPLACEMENT / Resolution: 2.96→21.99 Å / Cor.coef. F_o:F_c: 0.919 / Cor.coef. F_o:F_c free: 0.898 / SU B: 71.101 / SU ML: 0.534 / Cross valid method: THROUGHOUT / ESU R Free: 0.558 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS

	R_factor	Num. reflection	% reflection	Selection details
R_free	0.29094	5937	5 %	RANDOM
R_work	0.26841	-	-	-
obs	0.26956	112289	88.01 %	-

Solvent computation

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

Displacement parameters

B_iso mean: 120.557 Å²

	B_aniso -1	B_aniso -2	B_aniso -3
1-	3.67 Å²	0 Å²	0 Å²
2-	-	-9.12 Å²	0 Å²
3-	-	-	5.45 Å²

Refinement step

Cycle: LAST / Resolution: 2.96→21.99 Å

	Protein	Nucleic acid	Ligand	Solvent	Total
Num. atoms	41268	0	324	168	41760

Refine LS restraints

Refine-ID	Type	Dev ideal	Dev ideal target	Number
X-RAY DIFFRACTION	r_bond_refined_d	0.008	0.019	42265
X-RAY DIFFRACTION	r_bond_other_d	0.002	0.02	41544
X-RAY DIFFRACTION	r_angle_refined_deg	1.256	1.993	57179
X-RAY DIFFRACTION	r_angle_other_deg	0.807	3	95722
X-RAY DIFFRACTION	r_dihedral_angle_1_deg	6.182	5	5258
X-RAY DIFFRACTION	r_dihedral_angle_2_deg	35.595	24.244	1963
X-RAY DIFFRACTION	r_dihedral_angle_3_deg	18.914	15	7724
X-RAY DIFFRACTION	r_dihedral_angle_4_deg	16.422	15	379
X-RAY DIFFRACTION	r_chiral_restr	0.064	0.2	6519
X-RAY DIFFRACTION	r_gen_planes_refined	0.005	0.021	47290
X-RAY DIFFRACTION	r_gen_planes_other	0.002	0.02	8949
X-RAY DIFFRACTION	r_nbd_refined
X-RAY DIFFRACTION	r_nbd_other
X-RAY DIFFRACTION	r_nbtor_refined
X-RAY DIFFRACTION	r_nbtor_other
X-RAY DIFFRACTION	r_xyhbond_nbd_refined
X-RAY DIFFRACTION	r_xyhbond_nbd_other
X-RAY DIFFRACTION	r_metal_ion_refined
X-RAY DIFFRACTION	r_metal_ion_other
X-RAY DIFFRACTION	r_symmetry_vdw_refined
X-RAY DIFFRACTION	r_symmetry_vdw_other
X-RAY DIFFRACTION	r_symmetry_hbond_refined
X-RAY DIFFRACTION	r_symmetry_hbond_other
X-RAY DIFFRACTION	r_symmetry_metal_ion_refined
X-RAY DIFFRACTION	r_symmetry_metal_ion_other
X-RAY DIFFRACTION	r_mcbond_it	0.525	1.5	26285
X-RAY DIFFRACTION	r_mcbond_other
X-RAY DIFFRACTION	r_mcangle_it	0.978	2	42563
X-RAY DIFFRACTION	r_mcangle_other
X-RAY DIFFRACTION	r_scbond_it	0.948	3	15975
X-RAY DIFFRACTION	r_scbond_other
X-RAY DIFFRACTION	r_scangle_it	1.768	4.5	14611
X-RAY DIFFRACTION	r_scangle_other
X-RAY DIFFRACTION	r_long_range_B_refined
X-RAY DIFFRACTION	r_long_range_B_other
X-RAY DIFFRACTION	r_rigid_bond_restr
X-RAY DIFFRACTION	r_sphericity_free
X-RAY DIFFRACTION	r_sphericity_bonded

Refine LS restraints NCS

Refine-ID: X-RAY DIFFRACTION

Ens-ID	Dom-ID	Auth asym-ID	Number	Type	Rms dev position (Å)	Weight position
1	1	A	2001	TIGHT POSITIONAL	0.05	0.05
1	2	B	2001	TIGHT POSITIONAL	0.05	0.05
1	3	C	2001	TIGHT POSITIONAL	0.04	0.05
1	4	D	2001	TIGHT POSITIONAL	0.05	0.05
1	5	E	2001	TIGHT POSITIONAL	0.05	0.05
1	6	F	2001	TIGHT POSITIONAL	0.05	0.05
1	7	G	2001	TIGHT POSITIONAL	0.05	0.05
1	8	H	2001	TIGHT POSITIONAL	0.05	0.05
1	9	I	2001	TIGHT POSITIONAL	0.04	0.05
1	10	J	2001	TIGHT POSITIONAL	0.05	0.05
1	11	L	2001	TIGHT POSITIONAL	0.04	0.05
1	1	A	2001	TIGHT THERMAL	0.07	0.5
1	2	B	2001	TIGHT THERMAL	0.08	0.5
1	3	C	2001	TIGHT THERMAL	0.07	0.5
1	4	D	2001	TIGHT THERMAL	0.07	0.5
1	5	E	2001	TIGHT THERMAL	0.07	0.5
1	6	F	2001	TIGHT THERMAL	0.07	0.5
1	7	G	2001	TIGHT THERMAL	0.07	0.5
1	8	H	2001	TIGHT THERMAL	0.08	0.5
1	9	I	2001	TIGHT THERMAL	0.07	0.5
1	10	J	2001	TIGHT THERMAL	0.09	0.5
1	11	L	2001	TIGHT THERMAL	0.06	0.5
2	1	A	1373	TIGHT POSITIONAL	0.05	0.05
2	2	C	1373	TIGHT POSITIONAL	0.04	0.05
2	3	D	1373	TIGHT POSITIONAL	0.04	0.05
2	4	E	1373	TIGHT POSITIONAL	0.03	0.05
2	5	G	1373	TIGHT POSITIONAL	0.04	0.05
2	6	I	1373	TIGHT POSITIONAL	0.04	0.05
2	7	J	1373	TIGHT POSITIONAL	0.05	0.05
2	8	K	1373	TIGHT POSITIONAL	0.04	0.05
2	1	A	1373	TIGHT THERMAL	0.72	0.5
2	2	C	1373	TIGHT THERMAL	0.12	0.5
2	3	D	1373	TIGHT THERMAL	0.11	0.5
2	4	E	1373	TIGHT THERMAL	0.1	0.5
2	5	G	1373	TIGHT THERMAL	0.12	0.5
2	6	I	1373	TIGHT THERMAL	0.11	0.5
2	7	J	1373	TIGHT THERMAL	0.13	0.5
2	8	K	1373	TIGHT THERMAL	0.11	0.5
3	1	A	1119	TIGHT POSITIONAL	0.07	0.05
3	1	A	1119	TIGHT THERMAL	0.11	0.5
4	1	A	1373	TIGHT POSITIONAL	0.04	0.05
4	1	A	1373	TIGHT THERMAL	0.14	0.5
5	1	A	1292	TIGHT POSITIONAL	0.07	0.05
5	1	A	1292	TIGHT THERMAL	0.32	0.5
6	1	A	1362	TIGHT POSITIONAL	0.05	0.05
6	1	A	1362	TIGHT THERMAL	0.12	0.5
7	1	A	1373	TIGHT POSITIONAL	0.06	0.05
7	1	A	1373	TIGHT THERMAL	0.11	0.5

LS refinement shell

Resolution: 2.96→3.035 Å / Total num. of bins used: 20

	R_factor	Num. reflection	% reflection
R_free	0.525	244	-
R_work	0.521	4575	-
obs	-	-	49.93 %

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	7.6908	2.7768	0.2244	8.0593	-0.2113	8.2499	-0.5484	1.1038	0.1585	-0.5092	0.4168	-0.4901	0.2507	0.884	0.1315	0.2437	-0.2103	0.0461	1.0224	0.153	0.4618	103.8692	32.796	42.4663
2	11.1185	1.6375	-4.7202	4.7364	1.0898	8.1398	-0.2887	-0.5983	0.8411	0.1843	0.4117	-0.245	-0.4667	0.2665	-0.1231	0.4139	-0.167	-0.0891	0.9442	0.1221	0.7701	104.7276	43.9582	59.9426
3	8.6353	-0.9759	1.515	1.086	0.1918	5.3904	-0.2273	0.6019	0.3017	0.0994	-0.0722	-0.1509	-0.1247	-0.3418	0.2995	0.3364	-0.1544	-0.0648	0.8364	0.143	0.1024	70.5086	30.0297	47.0979
4	7.759	1.4819	0.472	6.2642	4.1488	9.0264	0.1859	-0.5895	-0.0086	0.6129	-0.0573	-0.4079	1.1112	0.5656	-0.1286	0.4648	0.0626	-0.2061	1.0086	0.243	0.2729	91.9191	24.0893	73.2841
5	27.5183	11.4927	28.1811	31.7852	16.9936	29.8734	0.7597	0.7669	0.0637	0.6526	-0.712	-0.3935	0.8536	0.5574	-0.0477	0.9401	-0.097	-0.0369	0.5631	0.2463	0.5318	81.2722	25.4654	60.2869
6	9.4497	0.5473	2.3252	5.896	1.2304	8.6047	-0.1613	0.2358	-0.5258	0.3793	-0.042	0.693	0.6601	-0.5406	0.2034	0.2724	-0.1375	0.0658	0.9134	0.1677	0.2246	-2.7305	17.9787	16.498
7	5.6532	-0.2646	1.9094	6.1486	0.015	7.3162	0.2499	0.1986	-0.1416	-0.2095	0.0109	-0.2317	-0.1664	-0.0939	-0.2608	0.3017	-0.0042	-0.0482	0.9687	0.1706	0.1055	10.3154	29.728	4.9136
8	3.8206	-0.3785	1.3487	1.5412	0.1484	8.2913	0.0579	-0.5221	0.4788	-0.0361	0.0535	-0.028	-0.139	0.1839	-0.1114	0.4083	-0.0204	0.0756	0.8609	0.1576	0.1711	17.5316	22.4738	42.7203
9	5.7473	0.9499	-1.4559	7.0709	-2.024	6.6801	-0.1209	0.8732	-0.8108	-0.2431	-0.0123	-0.4299	0.468	0.5429	0.1332	0.4223	0.0821	-0.007	0.8913	-0.0689	0.1744	31.0741	14.621	12.1479
10	23.9296	6.5773	23.0189	16.4055	9.7212	41.4933	-0.3573	0.2695	0.6012	0.2558	-0.7385	0.7127	0.5335	0.0433	1.0959	0.7999	-0.0144	0.0267	0.538	-0.012	0.7514	24.6585	16.9761	27.5343
11	11.6379	0.1016	-2.672	6.9336	1.1063	10.5161	-0.0138	-1.6011	-0.5544	0.6062	-0.2191	-0.4844	0.2566	0.2308	0.2329	0.7043	0.0237	0.1682	1.1509	0.1914	0.2638	27.49	21.6098	122.1901
12	10.5549	0.6109	1.7058	6.2853	-3.4972	9.452	0.0275	-0.9334	0.9014	0.1287	0.215	0.6889	-0.5331	-0.968	-0.2425	0.7256	0.1441	0.2494	1.1764	-0.0981	0.3027	8.7383	26.3039	114.605
13	6.8061	0.6987	0.9452	2.231	0.0656	5.843	-0.6181	0.8544	0.115	-0.0346	0.1241	0.0864	-0.3428	0.999	0.494	0.7399	-0.1363	0.1672	1.2414	-0.022	0.1247	40.171	26.0962	91.3506
14	11.5923	-2.2334	4.3555	4.6796	-1.0903	5.7813	-0.0544	0.1668	-0.8066	-0.2625	0.1277	-0.09	0.4746	-0.0717	-0.0733	0.6554	-0.2009	0.2738	0.514	-0.0762	0.2957	11.4793	7.8023	95.2251
15	6.5761	1.4048	-10.1043	16.8053	-2.9328	15.6558	0.3124	-0.2794	-0.4189	1.2172	-0.8207	-0.2572	-0.7778	0.5219	0.5083	0.8749	-0.0433	0.0667	0.815	0.0176	0.8718	26.2308	15.4344	93.217
16	8.5598	0.0672	-0.173	8.058	-0.4587	7.2212	-0.0115	-0.1687	-0.0757	0.7273	0.5054	0.5557	-0.5956	-1.2458	-0.4939	0.3589	0.1015	0.2963	1.0995	0.1594	0.3944	-17.2255	11.3807	78.1048
17	8.231	0.6102	-0.7355	4.3328	-1.966	10.6254	0.0776	0.1382	0.6407	0.1156	0.187	0.6271	-0.7369	-1.0189	-0.2646	0.3436	0.34	0.2189	1.0183	0.26	0.5614	-21.7272	22.2261	60.7999
18	6.0362	2.924	0.9303	2.6992	-0.1025	4.2485	0.3343	-0.5552	-0.097	0.5149	-0.2109	0.132	-0.6763	0.7773	-0.1234	0.6368	-0.1758	0.1159	1.082	-0.0279	0.0929	15.293	20.1123	73.4235
19	9.1088	-2.5837	3.6962	4.0705	-3.3167	9.4166	-0.0321	0.7464	0.165	-0.3264	0.2223	0.0405	0.8352	-0.5547	-0.1903	0.4394	-0.1807	0.0835	0.8358	0.1221	0.1383	-2.8836	8.2838	46.9334
20	2.1677	5.8276	3.2318	15.6999	8.706	4.86	0.4584	-0.1375	-0.1286	1.0834	-0.3402	-0.3792	0.5333	-0.247	-0.1182	0.9501	-0.0383	0.0272	0.649	0.0733	0.803	6.5779	12.6844	60.0142
21	11.2158	-0.0564	-0.7574	7.4381	0.6463	5.5443	0.0982	-1.1994	0.3878	0.5942	-0.2153	-0.8707	0.0782	1.3947	0.1171	0.7742	-0.193	-0.3622	1.2595	0.0903	0.3663	88.1383	33.1049	104.618
22	10.6698	-1.0042	-4.2447	3.8564	-1.4106	5.2947	0.6874	-1.5426	1.281	1.1653	-0.3704	0.3591	-1.1998	0.4156	-0.317	1.5508	-0.3609	-0.1383	1.6075	-0.5344	0.6501	72.3337	40.7972	115.6675
23	3.6369	-0.1711	1.5132	2.0835	-0.3011	6.5261	-0.1397	0.655	0.2468	0.1194	0.0124	-0.0666	-0.0934	0.1599	0.1273	0.334	-0.1072	-0.0264	0.7921	0.0677	0.0737	67.8804	31.0065	78.0153
24	8.9205	-3.4019	-4.227	4.6076	2.9033	8.409	-0.2084	-0.8838	-0.8009	0.2804	-0.246	0.2452	-0.0172	-0.1457	0.4544	0.6215	-0.0426	0.0722	0.9795	0.128	0.1503	57.3306	19.6889	108.4618
25	33.2105	12.021	15.9974	11.7012	0.1953	11.9679	0.9789	0.318	0.3322	-0.3879	-1.437	-0.2305	1.0087	1.3283	0.4582	0.9106	0.0444	0.0707	0.558	-0.0225	0.6532	62.8297	23.8372	93.3316
26	5.841	2.2234	-0.9979	7.4987	0.7665	11.4693	-0.4464	0.6324	-0.3111	-0.148	0.2599	0.2789	0.2763	0.2715	0.1865	0.3059	-0.0329	0.2018	0.8587	0.0972	0.3818	57.9426	26.0128	-1.6705
27	6.2604	0.542	-2.1336	5.603	0.4473	7.901	0.0236	-0.1306	0.0547	0.235	0.0298	-0.2201	-0.1458	0.4678	-0.0534	0.3357	0.0204	0.1321	0.9309	0.1148	0.1363	74.2584	36.9534	4.9515
28	6.5344	1.1109	1.8328	2.0434	0.0898	7.569	-0.1738	-1.0788	0.4436	-0.016	-0.2316	-0.0576	0.1917	-1.2887	0.4054	0.3338	0.0564	0.1536	1.1358	0.0126	0.1537	45.1771	26.9598	29.3102
29	10.2969	3.0308	0.1923	6.3659	-0.3267	6.072	0.2182	0.3346	-0.5319	0.1875	-0.1007	-0.8181	-0.0714	0.5514	-0.1175	0.4629	0.2608	0.0341	0.9163	0.2123	0.2926	78.3738	19.52	25.3895
30	9.4622	-5.1301	8.6424	3.5927	-5.3045	8.3735	0.042	0.3295	0.12	0.0939	-0.4591	-0.5174	0.0189	0.5495	0.4171	0.7813	0.0897	-0.1113	0.717	0.1002	0.8644	61.9199	21.6885	27.4854
31	10.2618	-1.1086	1.8761	6.6443	0.1459	10.4718	-0.501	-1.6176	0.5408	0.5528	0.2405	0.0226	-0.544	0.7788	0.2604	0.2414	0.0543	-0.1422	1.3743	0.0645	0.4481	92.5299	74.0985	109.1743
32	10.8805	-1.3823	-0.272	6.374	3.0526	12.4387	-0.4379	0.4617	-0.7778	-0.1441	0.3354	-0.3606	0.2497	0.5054	0.1026	0.1514	0.0773	-0.0256	1.0014	0.1617	0.4894	102.3401	64.773	93.4186
33	10.3671	2.7765	0.5427	3.3763	-1.0403	4.505	-0.3781	-0.1592	0.0024	-0.1004	-0.0886	0.0345	0.1203	-0.568	0.4667	0.1425	0.097	-0.0242	0.7826	-0.0661	0.3123	63.6991	69.228	92.0676
34	9.3955	-3.272	-3.1247	2.6653	0.8257	5.3625	0.0348	0.6654	0.5909	-0.3274	-0.3338	-0.437	-0.5803	0.7722	0.2989	0.3247	-0.23	-0.1012	1.0569	0.224	0.3694	91.0884	82.7912	76.4238
35	23.6476	-3.4507	-12.342	29.7153	13.6359	11.2366	0.9206	0.6035	1.1324	0.0801	-0.3015	-0.265	-0.377	-0.4105	-0.6191	0.7998	-0.0618	-0.0586	0.6036	0.1608	0.6445	77.0575	77.5907	84.1401
36	11.2004	0.4831	-1.246	4.5785	-0.6269	9.6297	-0.0773	-0.3263	-0.5115	-0.4249	-0.0322	-0.0686	-0.2867	-1.2455	0.1096	0.2243	0.0975	0.1026	1.1684	0.0783	0.321	-15.3616	57.3722	90.3794
37	11.7301	-0.8119	1.1968	7.1607	-0.0607	8.4732	-0.1903	-1.2388	-0.9482	0.731	0.2083	0.2765	0.8378	-0.4033	-0.0179	0.3171	0.0112	0.1448	1.1062	0.3585	0.4106	-5.2328	49.3088	106.8351
38	6.5908	0.5489	-1.5651	1.7152	0.3305	6.4293	0.085	0.2676	-0.3922	0.1118	0.1725	-0.1493	-0.2094	0.2053	-0.2575	0.1606	0.007	0.091	0.6722	0.0639	0.2809	14.0854	59.9911	74.5272
39	7.7666	-1.3211	1.1189	6.31	-1.2539	10.3595	0.0697	-1.1101	0.3646	0.1477	0.0571	-0.0065	-0.8284	0.4431	-0.1268	0.4455	0.0059	0.1699	1.1394	-0.1957	0.1495	11.3863	70.5506	107.102
40	37.0872	-6.5106	-38.6136	9.8327	10.2925	41.629	1.4262	0.5078	-0.206	0.2312	-1.3879	-0.5234	-1.2878	-1.0005	-0.0383	0.686	0.0031	-0.0261	0.7652	-0.0696	0.7068	12.6573	66.8813	90.7233
41	9.9085	2.8084	2.1005	5.213	-0.5445	11.8985	0.2176	1.5672	0.9475	-0.2935	-0.0969	-0.5985	0.0488	-0.1638	-0.1207	0.2849	0.1066	0.2133	1.0768	0.1005	0.5169	53.8867	71.5386	5.7345
42	7.7526	0.5888	-2.6939	6.8155	-1.9501	7.8344	0.0442	1.5497	-0.845	-0.5694	-0.0904	0.6627	0.8867	-0.913	0.0461	0.4399	-0.1742	-0.022	1.7509	-0.4254	0.2382	36.3104	59.9947	3.9252
43	7.6683	1.1051	-0.8166	2.9582	-3.04	7.785	-0.1247	-1.8356	-0.4887	0.0475	-0.1264	-0.1227	0.0187	0.9032	0.2511	0.1332	0.0572	0.0279	1.3664	-0.0999	0.1886	53.7231	65.3948	38.6865
44	7.6577	2.9382	2.3135	6.8842	2.1223	9.6872	0.0654	0.6154	1.3488	0.0159	0.0811	0.4395	-0.2269	-1.1449	-0.1465	0.2166	0.1146	0.1514	1.167	0.1619	0.4582	24.5908	74.8284	23.1473
45	8.8096	13.475	-2.2025	30.5311	-9.3527	4.8199	-0.7206	0.3152	-0.3884	-0.7836	0.0885	-0.5741	0.4193	-0.2543	0.6321	0.7804	-0.043	0.1563	0.7541	-0.2115	0.8739	39.0025	71.6649	31.3052
46	8.1249	1.3915	1.545	7.7469	0.8694	8.4461	-0.1107	0.3156	0.0606	-0.6356	0.2681	0.1442	-0.1983	-0.701	-0.1574	0.1768	0.0575	-0.0102	0.833	-0.1752	0.1747	-5.1894	62.825	27.8107
47	10.6037	2.5288	1.8558	6.7864	-0.4361	7.7295	-0.4603	-0.3942	-0.5484	0.4025	0.0785	0.4791	0.8561	-0.6682	0.3818	0.394	-0.2609	0.1337	0.9082	-0.1524	0.5799	-13.3634	50.3187	42.6716
48	7.1587	0.0749	-0.582	1.5659	0.0146	3.3725	-0.1223	0.0747	-0.1883	0.0189	-0.0816	-0.0481	0.1526	0.5066	0.2039	0.1242	0.0193	0.0377	0.7624	-0.1022	0.179	23.7448	62.0407	45.1112
49	10.9998	5.2374	-3.9347	8.272	-3.5755	7.2234	0.0742	-0.2041	0.0163	0.3977	0.0802	0.2256	-0.2083	-0.6658	-0.1544	0.2601	0.1184	0.0434	0.7047	-0.1245	0.2023	-5.4306	68.3957	61.4614
50	8.0368	8.9169	9.9774	27.5297	11.8186	25.6075	0.9244	-0.0481	1.2187	0.0183	-1.3849	-0.3827	0.9872	-1.0718	0.4605	0.6379	0.1213	0.1198	0.4746	-0.0327	0.6175	8.9148	66.7062	53.4582
51	17.6893	2.2402	4.2803	4.6393	2.7026	9.0116	0.2063	0.1178	-0.9845	0.1095	0.3199	-1.018	0.0036	0.6646	-0.5262	0.0863	0.0666	0.0644	0.962	0.2818	0.4336	102.7257	75.9282	46.2328
52	11.1504	0.4803	5.0037	9.4816	-1.2318	7.0702	1.7412	1.083	-2.9068	-1.5077	-0.1069	-0.5385	1.4279	1.1435	-1.6343	0.8165	0.2789	-0.0579	1.4127	-0.3237	1.3418	95.8305	65.4421	29.6894
53	4.2933	-2.9427	10.0365	10.3894	-5.4998	23.835	-0.6182	-0.6108	0.1644	0.6647	0.4413	-1.0373	-1.5468	-1.0848	0.1769	0.2113	-0.1344	0.0306	1.8837	0.2222	0.2872	86.549	73.8684	61.1673
54	2.5294	-0.4464	-0.4015	4.5671	1.8625	0.8582	0.2091	-0.0934	-0.08	0.4976	-0.5096	0.3992	0.2354	-0.1657	0.3006	0.1132	-0.0358	0.1184	1.6712	0.2383	0.2339	70.689	66.3865	62.396
55	6.164	0.5005	-1.5785	5.8721	3.5798	11.5961	-0.2342	-0.3642	-0.1165	-0.3054	0.2426	0.1644	-0.2128	0.0487	-0.0084	0.0567	-0.1152	0.0014	0.4739	0.0141	0.0187	72.779	79.6669	30.5207
56	0.063	0.5902	-0.733	10.5163	-3.2399	12.0184	0.0385	0.0193	-0.0307	1.4902	0.844	-1.8442	-0.0458	-0.1251	-0.8826	0.8159	0.0016	-0.0472	0.9838	-0.082	1.1085	73.0642	75.3962	46.3851
57	8.6617	1.0974	0.9867	4.6743	-4.8972	11.5465	0.3407	-1.2246	-0.0316	0.4883	-0.3723	0.3759	0.3165	-0.4088	0.0316	0.6205	-0.158	0.1127	1.9454	0.0386	0.1608	33.0658	65.1338	131.7761
58	5.8652	-0.674	-0.4826	9.3891	-0.7986	4.4606	0.1747	-0.9854	-0.7204	0.4741	-0.3417	-1.3174	0.6968	1.2075	0.167	0.7268	0.0396	-0.1519	2.1949	0.3276	0.3315	52.9839	59.3494	131.9058
59	5.8683	1.2989	1.0522	1.292	1.4911	6.7375	-0.1409	-0.193	-0.2104	-0.023	0.0851	-0.0402	0.0674	-0.6037	0.0558	0.1162	0.0015	0.0722	1.1212	0.0415	0.1612	33.8633	63.8846	98.0798
60	9.9301	-2.2229	-0.244	5.9662	0.4723	6.2564	0.3272	-1.1692	0.7823	0.6375	-0.5135	-0.1878	-0.6236	1.1226	0.1863	0.3596	-0.1991	-0.0855	1.3669	-0.2203	0.2079	59.3685	79.3851	115.0713
61	7.9413	8.4757	12.5208	9.2878	14.2566	23.14	-0.5228	-0.5316	0.6202	-0.5293	-0.5403	0.7024	-0.7229	-0.4523	1.0631	0.7482	0.018	0.0195	0.8788	-0.0937	0.8617	46.3284	73.198	106.3945

Refinement TLS group

ID	Refine-ID	Refine TLS-ID	Auth asym-ID	Auth seq-ID
1	X-RAY DIFFRACTION	1	A	23 - 107
2	X-RAY DIFFRACTION	2	A	108 - 200
3	X-RAY DIFFRACTION	3	A	201 - 371
4	X-RAY DIFFRACTION	4	A	372 - 459
5	X-RAY DIFFRACTION	5	A	800
6	X-RAY DIFFRACTION	6	B	21 - 107
7	X-RAY DIFFRACTION	7	B	108 - 200
8	X-RAY DIFFRACTION	8	B	201 - 371
9	X-RAY DIFFRACTION	9	B	372 - 459
10	X-RAY DIFFRACTION	10	B	800
11	X-RAY DIFFRACTION	11	C	23 - 107
12	X-RAY DIFFRACTION	12	C	108 - 200
13	X-RAY DIFFRACTION	13	C	201 - 371
14	X-RAY DIFFRACTION	14	C	372 - 460
15	X-RAY DIFFRACTION	15	C	800
16	X-RAY DIFFRACTION	16	D	22 - 107
17	X-RAY DIFFRACTION	17	D	108 - 200
18	X-RAY DIFFRACTION	18	D	201 - 371
19	X-RAY DIFFRACTION	19	D	372 - 460
20	X-RAY DIFFRACTION	20	D	800
21	X-RAY DIFFRACTION	21	E	23 - 107
22	X-RAY DIFFRACTION	22	E	108 - 200
23	X-RAY DIFFRACTION	23	E	201 - 371
24	X-RAY DIFFRACTION	24	E	372 - 461
25	X-RAY DIFFRACTION	25	E	800
26	X-RAY DIFFRACTION	26	F	23 - 107
27	X-RAY DIFFRACTION	27	F	108 - 200
28	X-RAY DIFFRACTION	28	F	201 - 371
29	X-RAY DIFFRACTION	29	F	372 - 460
30	X-RAY DIFFRACTION	30	F	800
31	X-RAY DIFFRACTION	31	G	23 - 107
32	X-RAY DIFFRACTION	32	G	108 - 200
33	X-RAY DIFFRACTION	33	G	201 - 371
34	X-RAY DIFFRACTION	34	G	372 - 459
35	X-RAY DIFFRACTION	35	G	800
36	X-RAY DIFFRACTION	36	H	22 - 107
37	X-RAY DIFFRACTION	37	H	108 - 200
38	X-RAY DIFFRACTION	38	H	201 - 371
39	X-RAY DIFFRACTION	39	H	372 - 459
40	X-RAY DIFFRACTION	40	H	800
41	X-RAY DIFFRACTION	41	I	21 - 107
42	X-RAY DIFFRACTION	42	I	108 - 200
43	X-RAY DIFFRACTION	43	I	201 - 371
44	X-RAY DIFFRACTION	44	I	372 - 459
45	X-RAY DIFFRACTION	45	I	800
46	X-RAY DIFFRACTION	46	J	21 - 107
47	X-RAY DIFFRACTION	47	J	108 - 200
48	X-RAY DIFFRACTION	48	J	201 - 371
49	X-RAY DIFFRACTION	49	J	372 - 462
50	X-RAY DIFFRACTION	50	J	800
51	X-RAY DIFFRACTION	51	K	23 - 107
52	X-RAY DIFFRACTION	52	K	108 - 200
53	X-RAY DIFFRACTION	53	K	201 - 238
54	X-RAY DIFFRACTION	54	K	239 - 369
55	X-RAY DIFFRACTION	55	K	370 - 459
56	X-RAY DIFFRACTION	56	K	800
57	X-RAY DIFFRACTION	57	L	23 - 107
58	X-RAY DIFFRACTION	58	L	108 - 200
59	X-RAY DIFFRACTION	59	L	201 - 371
60	X-RAY DIFFRACTION	60	L	372 - 459
61	X-RAY DIFFRACTION	61	L	800

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