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- PDB-4dam: Crystal structure of small single-stranded DNA-binding protein fr... -

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Basic information

Entry
Database: PDB / ID: 4dam
TitleCrystal structure of small single-stranded DNA-binding protein from Streptomyces coelicolor
ComponentsSingle-stranded DNA-binding protein 1
KeywordsDNA BINDING PROTEIN / OB-fold / DNA-binding / single-stranded DNA
Function / homology
Function and homology information


positive regulation of helicase activity / nucleoid / single-stranded DNA binding / DNA replication
Similarity search - Function
Single-stranded DNA-binding protein / Single-strand binding protein family / Single-strand binding (SSB) domain profile. / Primosome PriB/single-strand DNA-binding / Nucleic acid-binding proteins / OB fold (Dihydrolipoamide Acetyltransferase, E2P) / Nucleic acid-binding, OB-fold / Beta Barrel / Mainly Beta
Similarity search - Domain/homology
Single-stranded DNA-binding protein 1
Similarity search - Component
Biological speciesStreptomyces coelicolor (bacteria)
MethodX-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å
AuthorsFilic, Z. / Herron, P. / Ivic, N. / Luic, M. / Manjasetty, B.A. / Paradzik, T. / Vujaklija, D.
CitationJournal: Nucleic Acids Res. / Year: 2013
Title: Structure-function relationships of two paralogous single-stranded DNA-binding proteins from Streptomyces coelicolor: implication of SsbB in chromosome segregation during sporulation.
Authors: Paradzik, T. / Ivic, N. / Filic, Z. / Manjasetty, B.A. / Herron, P. / Luic, M. / Vujaklija, D.
History
DepositionJan 13, 2012Deposition site: RCSB / Processing site: RCSB
Revision 1.0Jan 16, 2013Provider: repository / Type: Initial release
Revision 1.1Apr 10, 2013Group: Database references
Revision 1.2Sep 13, 2023Group: Data collection / Database references / Refinement description
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / database_2 / pdbx_initial_refinement_model / struct_ncs_dom_lim / struct_ref_seq_dif
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

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: Single-stranded DNA-binding protein 1
B: Single-stranded DNA-binding protein 1
C: Single-stranded DNA-binding protein 1
D: Single-stranded DNA-binding protein 1
E: Single-stranded DNA-binding protein 1
F: Single-stranded DNA-binding protein 1
G: Single-stranded DNA-binding protein 1
H: Single-stranded DNA-binding protein 1
I: Single-stranded DNA-binding protein 1
J: Single-stranded DNA-binding protein 1
K: Single-stranded DNA-binding protein 1
L: Single-stranded DNA-binding protein 1


Theoretical massNumber of molelcules
Total (without water)169,49812
Polymers169,49812
Non-polymers00
Water14,556808
1
A: Single-stranded DNA-binding protein 1
B: Single-stranded DNA-binding protein 1
C: Single-stranded DNA-binding protein 1
D: Single-stranded DNA-binding protein 1


Theoretical massNumber of molelcules
Total (without water)56,4994
Polymers56,4994
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7660 Å2
ΔGint-49 kcal/mol
Surface area21310 Å2
MethodPISA
2
E: Single-stranded DNA-binding protein 1
F: Single-stranded DNA-binding protein 1
G: Single-stranded DNA-binding protein 1
H: Single-stranded DNA-binding protein 1


Theoretical massNumber of molelcules
Total (without water)56,4994
Polymers56,4994
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7710 Å2
ΔGint-47 kcal/mol
Surface area21480 Å2
MethodPISA
3
I: Single-stranded DNA-binding protein 1
J: Single-stranded DNA-binding protein 1
K: Single-stranded DNA-binding protein 1
L: Single-stranded DNA-binding protein 1


Theoretical massNumber of molelcules
Total (without water)56,4994
Polymers56,4994
Non-polymers00
Water724
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
Buried area7710 Å2
ΔGint-47 kcal/mol
Surface area21480 Å2
MethodPISA
Unit cell
Length a, b, c (Å)150.004, 150.004, 54.700
Angle α, β, γ (deg.)90.00, 90.00, 120.00
Int Tables number145
Space group name H-MP32
Noncrystallographic symmetry (NCS)NCS domain:
IDEns-IDDetails
11A
21B
12A
22C
13A
23D
14A
24E
15A
25F
16A
26G
17A
27H
18A
28I
19A
29J
110A
210K
111A
211L
112B
212C
113B
213D
114B
214E
115B
215F
116B
216G
117B
217H
118B
218I
119B
219J
120B
220K
121B
221L
122C
222D
123C
223E
124C
224F
125C
225G
126C
226H
127C
227I
128C
228J
129C
229K
130C
230L
131D
231E
132D
232F
133D
233G
134D
234H
135D
235I
136D
236J
137D
237K
138D
238L
139E
239F
140E
240G
141E
241H
142E
242I
143E
243J
144E
244K
145E
245L
146F
246G
147F
247H
148F
248I
149F
249J
150F
250K
151F
251L
152G
252H
153G
253I
154G
254J
155G
255K
156G
256L
157H
257I
158H
258J
159H
259K
160H
260L
161I
261J
162I
262K
163I
263L
164J
264K
165J
265L
166K
266L

NCS domain segments:

Component-ID: _ / Refine code: _

Dom-IDEns-IDBeg auth comp-IDBeg label comp-IDEnd auth comp-IDEnd label comp-IDAuth asym-IDLabel asym-IDAuth seq-IDLabel seq-ID
11METMETARGARGAA1 - 10913 - 121
21METMETARGARGBB1 - 10913 - 121
12SERSERTHRTHRAA0 - 11112 - 123
22SERSERTHRTHRCC0 - 11112 - 123
13METMETALAALAAA1 - 10813 - 120
23METMETALAALADD1 - 10813 - 120
14SERSERGLYGLYAA0 - 11012 - 122
24SERSERGLYGLYEE0 - 11012 - 122
15METMETARGARGAA1 - 10913 - 121
25METMETARGARGFF1 - 10913 - 121
16SERSERGLYGLYAA0 - 11012 - 122
26SERSERGLYGLYGG0 - 11012 - 122
17METMETARGARGAA1 - 10913 - 121
27METMETARGARGHH1 - 10913 - 121
18METMETARGARGAA1 - 10913 - 121
28METMETARGARGII1 - 10913 - 121
19METMETALAALAAA1 - 11213 - 124
29METMETALAALAJJ1 - 11213 - 124
110SERSERARGARGAA0 - 10912 - 121
210SERSERARGARGKK0 - 10912 - 121
111METMETGLYGLYAA1 - 11013 - 122
211METMETGLYGLYLL1 - 11013 - 122
112METMETGLYGLYBB1 - 11013 - 122
212METMETGLYGLYCC1 - 11013 - 122
113METMETARGARGBB1 - 10913 - 121
213METMETARGARGDD1 - 10913 - 121
114METMETGLYGLYBB1 - 11013 - 122
214METMETGLYGLYEE1 - 11013 - 122
115METMETGLYGLYBB1 - 11013 - 122
215METMETGLYGLYFF1 - 11013 - 122
116METMETGLYGLYBB1 - 11013 - 122
216METMETGLYGLYGG1 - 11013 - 122
117METMETGLYGLYBB1 - 11013 - 122
217METMETGLYGLYHH1 - 11013 - 122
118METMETGLYGLYBB1 - 11013 - 122
218METMETGLYGLYII1 - 11013 - 122
119METMETGLYGLYBB1 - 11013 - 122
219METMETGLYGLYJJ1 - 11013 - 122
120METMETGLYGLYBB1 - 11013 - 122
220METMETGLYGLYKK1 - 11013 - 122
121METMETGLYGLYBB1 - 11013 - 122
221METMETGLYGLYLL1 - 11013 - 122
122METMETARGARGCC1 - 10913 - 121
222METMETARGARGDD1 - 10913 - 121
123SERSERTHRTHRCC0 - 11112 - 123
223SERSERTHRTHREE0 - 11112 - 123
124METMETGLYGLYCC1 - 11013 - 122
224METMETGLYGLYFF1 - 11013 - 122
125SERSERGLYGLYCC0 - 11012 - 122
225SERSERGLYGLYGG0 - 11012 - 122
126METMETGLYGLYCC1 - 11013 - 122
226METMETGLYGLYHH1 - 11013 - 122
127METMETGLYGLYCC1 - 11013 - 122
227METMETGLYGLYII1 - 11013 - 122
128METMETTHRTHRCC1 - 11113 - 123
228METMETTHRTHRJJ1 - 11113 - 123
129SERSERGLYGLYCC0 - 11012 - 122
229SERSERGLYGLYKK0 - 11012 - 122
130METMETGLYGLYCC1 - 11013 - 122
230METMETGLYGLYLL1 - 11013 - 122
131METMETALAALADD1 - 10813 - 120
231METMETALAALAEE1 - 10813 - 120
132METMETALAALADD1 - 10813 - 120
232METMETALAALAFF1 - 10813 - 120
133METMETARGARGDD1 - 10913 - 121
233METMETARGARGGG1 - 10913 - 121
134METMETARGARGDD1 - 10913 - 121
234METMETARGARGHH1 - 10913 - 121
135METMETALAALADD1 - 10813 - 120
235METMETALAALAII1 - 10813 - 120
136METMETARGARGDD1 - 10913 - 121
236METMETARGARGJJ1 - 10913 - 121
137METMETALAALADD1 - 10813 - 120
237METMETALAALAKK1 - 10813 - 120
138METMETARGARGDD1 - 10913 - 121
238METMETARGARGLL1 - 10913 - 121
139METMETARGARGEE1 - 10913 - 121
239METMETARGARGFF1 - 10913 - 121
140SERSERGLYGLYEE0 - 11012 - 122
240SERSERGLYGLYGG0 - 11012 - 122
141METMETGLYGLYEE1 - 11013 - 122
241METMETGLYGLYHH1 - 11013 - 122
142METMETARGARGEE1 - 10913 - 121
242METMETARGARGII1 - 10913 - 121
143METMETTHRTHREE1 - 11113 - 123
243METMETTHRTHRJJ1 - 11113 - 123
144SERSERARGARGEE0 - 10912 - 121
244SERSERARGARGKK0 - 10912 - 121
145METMETGLYGLYEE1 - 11013 - 122
245METMETGLYGLYLL1 - 11013 - 122
146METMETGLYGLYFF1 - 11013 - 122
246METMETGLYGLYGG1 - 11013 - 122
147METMETGLYGLYFF1 - 11013 - 122
247METMETGLYGLYHH1 - 11013 - 122
148METMETGLYGLYFF1 - 11013 - 122
248METMETGLYGLYII1 - 11013 - 122
149METMETGLYGLYFF1 - 11013 - 122
249METMETGLYGLYJJ1 - 11013 - 122
150METMETARGARGFF1 - 10913 - 121
250METMETARGARGKK1 - 10913 - 121
151METMETGLYGLYFF1 - 11013 - 122
251METMETGLYGLYLL1 - 11013 - 122
152METMETGLYGLYGG1 - 11013 - 122
252METMETGLYGLYHH1 - 11013 - 122
153METMETGLYGLYGG1 - 11013 - 122
253METMETGLYGLYII1 - 11013 - 122
154METMETGLYGLYGG1 - 11013 - 122
254METMETGLYGLYJJ1 - 11013 - 122
155SERSERGLYGLYGG0 - 11012 - 122
255SERSERGLYGLYKK0 - 11012 - 122
156METMETGLYGLYGG1 - 11013 - 122
256METMETGLYGLYLL1 - 11013 - 122
157METMETGLYGLYHH1 - 11013 - 122
257METMETGLYGLYII1 - 11013 - 122
158METMETGLYGLYHH1 - 11013 - 122
258METMETGLYGLYJJ1 - 11013 - 122
159METMETGLYGLYHH1 - 11013 - 122
259METMETGLYGLYKK1 - 11013 - 122
160METMETGLYGLYHH1 - 11013 - 122
260METMETGLYGLYLL1 - 11013 - 122
161METMETGLYGLYII1 - 11013 - 122
261METMETGLYGLYJJ1 - 11013 - 122
162METMETARGARGII1 - 10913 - 121
262METMETARGARGKK1 - 10913 - 121
163METMETGLYGLYII1 - 11013 - 122
263METMETGLYGLYLL1 - 11013 - 122
164METMETGLYGLYJJ1 - 11013 - 122
264METMETGLYGLYKK1 - 11013 - 122
165METMETGLYGLYJJ1 - 11013 - 122
265METMETGLYGLYLL1 - 11013 - 122
166METMETGLYGLYKK1 - 11013 - 122
266METMETGLYGLYLL1 - 11013 - 122

NCS ensembles :
ID
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66

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Components

#1: Protein
Single-stranded DNA-binding protein 1 / SSB 1 / Helix-destabilizing protein 1


Mass: 14124.833 Da / Num. of mol.: 12 / Fragment: UNP residues 1-116 / Mutation: T4I
Source method: isolated from a genetically manipulated source
Source: (gene. exp.) Streptomyces coelicolor (bacteria) / Strain: M145 / Gene: SCC61A.04c, SCO2683, ssb1 / Plasmid: pQE-30 / Production host: Escherichia coli (E. coli) / Strain (production host): NM522 / References: UniProt: Q9KYI9
#2: Water ChemComp-HOH / water


Mass: 18.015 Da / Num. of mol.: 808 / Source method: isolated from a natural source / Formula: H2O

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Experimental details

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Experiment

ExperimentMethod: X-RAY DIFFRACTION / Number of used crystals: 1

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Sample preparation

CrystalDensity Matthews: 2.1 Å3/Da / Density % sol: 41.32 %
Crystal growTemperature: 291 K / Method: vapor diffusion, hanging drop / pH: 5
Details: 0.2 M diammonium hydrogen citrate, 20% PEG3350, 10% glycerol, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K

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Data collection

DiffractionMean temperature: 100 K
Diffraction sourceSource: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.95371 Å
DetectorType: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Apr 16, 2010 / Details: mirrors
RadiationMonochromator: Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelengthWavelength: 0.95371 Å / Relative weight: 1
ReflectionResolution: 1.7→50 Å / Num. obs: 150872 / % possible obs: 100 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 1 / Redundancy: 11.7 % / Biso Wilson estimate: 22.4 Å2 / Rmerge(I) obs: 0.056 / Rsym value: 0.056 / Net I/σ(I): 42.8
Reflection shellResolution: 1.7→1.73 Å / Redundancy: 7.5 % / Rmerge(I) obs: 0.561 / Mean I/σ(I) obs: 3.5 / Num. unique all: 7441 / Rsym value: 0.561 / % possible all: 99.8

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Processing

Software
NameVersionClassification
MxCuBEdata collection
EPMRphasing
REFMAC5.6.0116refinement
HKL-2000data reduction
HKL-2000data scaling
RefinementMethod to determine structure: MOLECULAR REPLACEMENT
Starting model: PDB ENTRY 3EIV
Resolution: 1.7→50 Å / Cor.coef. Fo:Fc: 0.97 / Cor.coef. Fo:Fc free: 0.956 / SU B: 3.441 / SU ML: 0.053 / Isotropic thermal model: ANISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 1 / σ(I): 1 / ESU R: 0.134 / ESU R Free: 0.093 / Stereochemistry target values: MAXIMUM LIKELIHOOD
Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
RfactorNum. reflection% reflectionSelection details
Rfree0.19199 7555 5 %RANDOM
Rwork0.1532 ---
obs0.15515 143296 99.87 %-
all-150872 --
Solvent computationIon probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parametersBiso mean: 25.498 Å2
Baniso -1Baniso -2Baniso -3
1--0.18 Å2-0.09 Å20 Å2
2---0.18 Å20 Å2
3---0.27 Å2
Refinement stepCycle: LAST / Resolution: 1.7→50 Å
ProteinNucleic acidLigandSolventTotal
Num. atoms9730 0 0 808 10538
Refine LS restraints
Refine-IDTypeDev idealDev ideal targetNumber
X-RAY DIFFRACTIONr_bond_refined_d0.0120.01910537
X-RAY DIFFRACTIONr_bond_other_d0.0110.026833
X-RAY DIFFRACTIONr_angle_refined_deg1.5231.90914464
X-RAY DIFFRACTIONr_angle_other_deg1.9473.00116524
X-RAY DIFFRACTIONr_dihedral_angle_1_deg6.52251400
X-RAY DIFFRACTIONr_dihedral_angle_2_deg30.09522.654486
X-RAY DIFFRACTIONr_dihedral_angle_3_deg14.678151594
X-RAY DIFFRACTIONr_dihedral_angle_4_deg15.74615120
X-RAY DIFFRACTIONr_chiral_restr0.0910.21696
X-RAY DIFFRACTIONr_gen_planes_refined0.0080.0212278
X-RAY DIFFRACTIONr_gen_planes_other0.0080.022375
X-RAY DIFFRACTIONr_nbd_refined
X-RAY DIFFRACTIONr_nbd_other
X-RAY DIFFRACTIONr_nbtor_refined
X-RAY DIFFRACTIONr_nbtor_other
X-RAY DIFFRACTIONr_xyhbond_nbd_refined
X-RAY DIFFRACTIONr_xyhbond_nbd_other
X-RAY DIFFRACTIONr_metal_ion_refined
X-RAY DIFFRACTIONr_metal_ion_other
X-RAY DIFFRACTIONr_symmetry_vdw_refined
X-RAY DIFFRACTIONr_symmetry_vdw_other
X-RAY DIFFRACTIONr_symmetry_hbond_refined
X-RAY DIFFRACTIONr_symmetry_hbond_other
X-RAY DIFFRACTIONr_symmetry_metal_ion_refined
X-RAY DIFFRACTIONr_symmetry_metal_ion_other
X-RAY DIFFRACTIONr_mcbond_it
X-RAY DIFFRACTIONr_mcbond_other
X-RAY DIFFRACTIONr_mcangle_it
X-RAY DIFFRACTIONr_scbond_it
X-RAY DIFFRACTIONr_scangle_it
X-RAY DIFFRACTIONr_rigid_bond_restr4.697317370
X-RAY DIFFRACTIONr_sphericity_free22.4485264
X-RAY DIFFRACTIONr_sphericity_bonded10.748517675
Refine LS restraints NCS
Ens-IDDom-IDAuth asym-IDNumberRefine-IDRms dev position (Å)Weight position
11A3096X-RAY DIFFRACTION0.140.05
12B3096X-RAY DIFFRACTION0.140.05
21A2821X-RAY DIFFRACTION0.130.05
22C2821X-RAY DIFFRACTION0.130.05
31A3082X-RAY DIFFRACTION0.150.05
32D3082X-RAY DIFFRACTION0.150.05
41A3255X-RAY DIFFRACTION0.130.05
42E3255X-RAY DIFFRACTION0.130.05
51A3219X-RAY DIFFRACTION0.140.05
52F3219X-RAY DIFFRACTION0.140.05
61A2857X-RAY DIFFRACTION0.140.05
62G2857X-RAY DIFFRACTION0.140.05
71A3251X-RAY DIFFRACTION0.090.05
72H3251X-RAY DIFFRACTION0.090.05
81A3196X-RAY DIFFRACTION0.110.05
82I3196X-RAY DIFFRACTION0.110.05
91A3162X-RAY DIFFRACTION0.130.05
92J3162X-RAY DIFFRACTION0.130.05
101A3399X-RAY DIFFRACTION0.10.05
102K3399X-RAY DIFFRACTION0.10.05
111A2861X-RAY DIFFRACTION0.150.05
112L2861X-RAY DIFFRACTION0.150.05
121B2866X-RAY DIFFRACTION0.140.05
122C2866X-RAY DIFFRACTION0.140.05
131B3135X-RAY DIFFRACTION0.150.05
132D3135X-RAY DIFFRACTION0.150.05
141B3168X-RAY DIFFRACTION0.140.05
142E3168X-RAY DIFFRACTION0.140.05
151B3346X-RAY DIFFRACTION0.110.05
152F3346X-RAY DIFFRACTION0.110.05
161B2845X-RAY DIFFRACTION0.140.05
162G2845X-RAY DIFFRACTION0.140.05
171B3218X-RAY DIFFRACTION0.140.05
172H3218X-RAY DIFFRACTION0.140.05
181B3304X-RAY DIFFRACTION0.110.05
182I3304X-RAY DIFFRACTION0.110.05
191B3161X-RAY DIFFRACTION0.140.05
192J3161X-RAY DIFFRACTION0.140.05
201B3157X-RAY DIFFRACTION0.130.05
202K3157X-RAY DIFFRACTION0.130.05
211B2839X-RAY DIFFRACTION0.140.05
212L2839X-RAY DIFFRACTION0.140.05
221C2952X-RAY DIFFRACTION0.150.05
222D2952X-RAY DIFFRACTION0.150.05
231C3084X-RAY DIFFRACTION0.140.05
232E3084X-RAY DIFFRACTION0.140.05
241C3014X-RAY DIFFRACTION0.150.05
242F3014X-RAY DIFFRACTION0.150.05
251C3067X-RAY DIFFRACTION0.130.05
252G3067X-RAY DIFFRACTION0.130.05
261C2977X-RAY DIFFRACTION0.140.05
262H2977X-RAY DIFFRACTION0.140.05
271C3021X-RAY DIFFRACTION0.140.05
272I3021X-RAY DIFFRACTION0.140.05
281C3022X-RAY DIFFRACTION0.150.05
282J3022X-RAY DIFFRACTION0.150.05
291C2987X-RAY DIFFRACTION0.140.05
292K2987X-RAY DIFFRACTION0.140.05
301C3009X-RAY DIFFRACTION0.140.05
302L3009X-RAY DIFFRACTION0.140.05
311D3437X-RAY DIFFRACTION0.110.05
312E3437X-RAY DIFFRACTION0.110.05
321D3262X-RAY DIFFRACTION0.160.05
322F3262X-RAY DIFFRACTION0.160.05
331D2919X-RAY DIFFRACTION0.150.05
332G2919X-RAY DIFFRACTION0.150.05
341D3300X-RAY DIFFRACTION0.130.05
342H3300X-RAY DIFFRACTION0.130.05
351D3234X-RAY DIFFRACTION0.150.05
352I3234X-RAY DIFFRACTION0.150.05
361D3405X-RAY DIFFRACTION0.090.05
362J3405X-RAY DIFFRACTION0.090.05
371D3206X-RAY DIFFRACTION0.140.05
372K3206X-RAY DIFFRACTION0.140.05
381D2958X-RAY DIFFRACTION0.140.05
382L2958X-RAY DIFFRACTION0.140.05
391E3377X-RAY DIFFRACTION0.160.05
392F3377X-RAY DIFFRACTION0.160.05
401E2932X-RAY DIFFRACTION0.150.05
402G2932X-RAY DIFFRACTION0.150.05
411E3289X-RAY DIFFRACTION0.150.05
412H3289X-RAY DIFFRACTION0.150.05
421E3383X-RAY DIFFRACTION0.150.05
422I3383X-RAY DIFFRACTION0.150.05
431E3431X-RAY DIFFRACTION0.110.05
432J3431X-RAY DIFFRACTION0.110.05
441E3333X-RAY DIFFRACTION0.150.05
442K3333X-RAY DIFFRACTION0.150.05
451E2941X-RAY DIFFRACTION0.150.05
452L2941X-RAY DIFFRACTION0.150.05
461F2856X-RAY DIFFRACTION0.150.05
462G2856X-RAY DIFFRACTION0.150.05
471F3192X-RAY DIFFRACTION0.140.05
472H3192X-RAY DIFFRACTION0.140.05
481F3387X-RAY DIFFRACTION0.130.05
482I3387X-RAY DIFFRACTION0.130.05
491F3148X-RAY DIFFRACTION0.140.05
492J3148X-RAY DIFFRACTION0.140.05
501F3249X-RAY DIFFRACTION0.140.05
502K3249X-RAY DIFFRACTION0.140.05
511F2861X-RAY DIFFRACTION0.140.05
512L2861X-RAY DIFFRACTION0.140.05
521G2862X-RAY DIFFRACTION0.150.05
522H2862X-RAY DIFFRACTION0.150.05
531G2856X-RAY DIFFRACTION0.150.05
532I2856X-RAY DIFFRACTION0.150.05
541G2885X-RAY DIFFRACTION0.150.05
542J2885X-RAY DIFFRACTION0.150.05
551G2916X-RAY DIFFRACTION0.150.05
552K2916X-RAY DIFFRACTION0.150.05
561G2914X-RAY DIFFRACTION0.120.05
562L2914X-RAY DIFFRACTION0.120.05
571H3253X-RAY DIFFRACTION0.120.05
572I3253X-RAY DIFFRACTION0.120.05
581H3256X-RAY DIFFRACTION0.120.05
582J3256X-RAY DIFFRACTION0.120.05
591H3316X-RAY DIFFRACTION0.120.05
592K3316X-RAY DIFFRACTION0.120.05
601H2839X-RAY DIFFRACTION0.140.05
602L2839X-RAY DIFFRACTION0.140.05
611I3170X-RAY DIFFRACTION0.140.05
612J3170X-RAY DIFFRACTION0.140.05
621I3227X-RAY DIFFRACTION0.120.05
622K3227X-RAY DIFFRACTION0.120.05
631I2847X-RAY DIFFRACTION0.140.05
632L2847X-RAY DIFFRACTION0.140.05
641J3133X-RAY DIFFRACTION0.140.05
642K3133X-RAY DIFFRACTION0.140.05
651J2822X-RAY DIFFRACTION0.140.05
652L2822X-RAY DIFFRACTION0.140.05
661K2815X-RAY DIFFRACTION0.140.05
662L2815X-RAY DIFFRACTION0.140.05
LS refinement shellResolution: 1.7→1.746 Å / Total num. of bins used: 20
RfactorNum. reflection% reflection
Rfree0.265 520 -
Rwork0.213 10492 -
obs--98.9 %

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