- PDB-2i5t: Crystal Structure of hypothetical protein LOC79017 from Homo sapiens -
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Basic information
Entry
Database: PDB / ID: 2i5t
Title
Crystal Structure of hypothetical protein LOC79017 from Homo sapiens
Components
Protein C7orf24
Keywords
STRUCTURAL GENOMICS / UNKNOWN FUNCTION / PSI-2 / Protein Structure Initiative / Center for Eukaryotic Structural Genomics / CESG
Function / homology
Function and homology information
gamma-glutamylcyclotransferase / gamma-glutamylcyclotransferase activity / Glutathione synthesis and recycling / release of cytochrome c from mitochondria / protein homodimerization activity / extracellular exosome / cytosol Similarity search - Function
Gamma-glutamylcyclotransferase / AIG2-like family / Gamma-glutamyl cyclotransferase-like / Hypothetical upf0131 protein ytfp / Gamma-glutamyl cyclotransferase-like / Gamma-glutamyl cyclotransferase-like superfamily / Roll / Alpha Beta Similarity search - Domain/homology
Mass: 18.015 Da / Num. of mol.: 141 / Source method: isolated from a natural source / Formula: H2O
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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: 2.2 Å3/Da / Density % sol: 42.5 %
Crystal grow
Temperature: 293 K / Method: vapor diffusion, hanging drop Details: PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.050 M SODIUM CHLORIDE, 0.003 M SODIUM AZIDE, 0.0003 M TCEP, 0.005 M BISTRIS PH 7.0) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (28% PEG 2K, 0.20 M ...Details: PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.050 M SODIUM CHLORIDE, 0.003 M SODIUM AZIDE, 0.0003 M TCEP, 0.005 M BISTRIS PH 7.0) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (28% PEG 2K, 0.20 M POTASSIUM GLUTAMATE, 0.1 M MES/ACETATE PH 5.5) CRYOPROTECTED WITH 10% ETHYLENE GLYCOL IN WELL SOLUTION, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Jun 18, 2006 / Details: ADJUSTABLE FOCUSING MIRRORS IN K-B GEOMETRY
Radiation
Monochromator: SI(111) DOUBLE CRYSTAL MONOCHROMATER / Protocol: SAD / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 2.01→45.621 Å / Num. obs: 24297 / % possible obs: 97.5 % / Redundancy: 10.8 % / Rmerge(I) obs: 0.123 / Net I/σ(I): 12.185
Reflection shell
Resolution: 2.01→2.08 Å / Redundancy: 8.1 % / Rmerge(I) obs: 0.357 / Mean I/σ(I) obs: 4.096 / % possible all: 83.2
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Phasing
Phasing
Method: SAD
Phasing MAD set
R cullis centric: 0 / Highest resolution: 2.01 Å / Lowest resolution: 44.99 Å / Power centric: 0
ID
R cullis acentric
Power acentric
Reflection acentric
Reflection centric
ISO_1
0
0
21010
3203
ANO_1
0.769
1.243
20487
0
Phasing MAD set shell
R cullis centric: 0 / Power centric: 0
ID
Resolution (Å)
R cullis acentric
Power acentric
Reflection acentric
Reflection centric
ISO_1
8.83-44.99
0
0
189
154
ISO_1
6.3-8.83
0
0
404
167
ISO_1
5.16-6.3
0
0
531
163
ISO_1
4.48-5.16
0
0
650
163
ISO_1
4.01-4.48
0
0
741
165
ISO_1
3.66-4.01
0
0
834
169
ISO_1
3.39-3.66
0
0
900
170
ISO_1
3.17-3.39
0
0
978
159
ISO_1
2.99-3.17
0
0
1056
166
ISO_1
2.84-2.99
0
0
1117
173
ISO_1
2.71-2.84
0
0
1151
153
ISO_1
2.59-2.71
0
0
1256
175
ISO_1
2.49-2.59
0
0
1273
168
ISO_1
2.4-2.49
0
0
1355
167
ISO_1
2.32-2.4
0
0
1387
166
ISO_1
2.25-2.32
0
0
1442
161
ISO_1
2.18-2.25
0
0
1436
148
ISO_1
2.12-2.18
0
0
1500
160
ISO_1
2.06-2.12
0
0
1449
135
ISO_1
2.01-2.06
0
0
1361
121
ANO_1
8.83-44.99
0.305
4.38
189
0
ANO_1
6.3-8.83
0.284
4.686
404
0
ANO_1
5.16-6.3
0.311
4.18
531
0
ANO_1
4.48-5.16
0.42
3.189
650
0
ANO_1
4.01-4.48
0.497
2.617
741
0
ANO_1
3.66-4.01
0.57
2.405
834
0
ANO_1
3.39-3.66
0.583
2.208
900
0
ANO_1
3.17-3.39
0.617
1.97
978
0
ANO_1
2.99-3.17
0.631
1.777
1056
0
ANO_1
2.84-2.99
0.682
1.48
1117
0
ANO_1
2.71-2.84
0.752
1.321
1151
0
ANO_1
2.59-2.71
0.802
1.134
1256
0
ANO_1
2.49-2.59
0.843
0.942
1273
0
ANO_1
2.4-2.49
0.887
0.805
1351
0
ANO_1
2.32-2.4
0.907
0.681
1376
0
ANO_1
2.25-2.32
0.935
0.652
1414
0
ANO_1
2.18-2.25
0.946
0.557
1377
0
ANO_1
2.12-2.18
0.958
0.502
1412
0
ANO_1
2.06-2.12
0.964
0.485
1291
0
ANO_1
2.01-2.06
0.969
0.439
1186
0
Phasing MAD set site
ID
Cartn x (Å)
Cartn y (Å)
Cartn z (Å)
Atom type symbol
B iso
Occupancy
1
-0.879
-76.64
-18.638
SE
25.33
1.47
2
14.226
-79.645
-33.733
SE
24.85
1.51
3
3.264
-96.217
-19.476
SE
35.75
1.52
4
18.852
-82.323
-53.198
SE
30.69
1.35
5
5.52
-89.058
-2.037
SE
27.65
1.11
6
-3.421
-101.884
8.49
SE
22.51
1.01
7
10.172
-89.432
-6.172
SE
38.34
0.66
8
-8.501
-105.628
7.469
SE
58.51
0.98
9
-27.246
-47.581
-7.468
SE
14.84
0.26
Phasing dm
Method: Solvent flattening and Histogram matching / Reflection: 24211
Phasing dm shell
Resolution (Å)
Delta phi final
FOM
Reflection
7.77-100
71.2
0.691
502
6.09-7.77
67.8
0.842
504
5.28-6.09
67.1
0.896
509
4.75-5.28
63.2
0.928
530
4.36-4.75
59.8
0.92
564
4.04-4.36
59.5
0.932
641
3.79-4.04
63.4
0.916
656
3.58-3.79
64.9
0.916
705
3.4-3.58
62.1
0.901
743
3.25-3.4
67.6
0.902
769
3.11-3.25
66
0.889
805
2.99-3.11
67.8
0.896
836
2.89-2.99
65.7
0.893
867
2.79-2.89
67.9
0.9
895
2.7-2.79
70.8
0.897
893
2.62-2.7
73.3
0.886
982
2.55-2.62
72.2
0.879
981
2.48-2.55
72.3
0.893
988
2.42-2.48
75.4
0.895
1037
2.36-2.42
74.1
0.899
1035
2.31-2.36
74.6
0.899
1052
2.26-2.31
80.5
0.877
1112
2.21-2.26
80.6
0.901
1084
2.17-2.21
83.5
0.894
1104
2.13-2.17
80.3
0.907
1120
2.09-2.13
82.7
0.868
1106
2.05-2.09
82.1
0.823
1077
2.01-2.05
83.1
0.742
1114
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Processing
Software
Name
Version
Classification
NB
DENZO
datareduction
SCALEPACK
datascaling
SHARP
phasing
DM
5
phasing
REFMAC
5.2.0005
refinement
PDB_EXTRACT
2
dataextraction
HKL-2000
datareduction
Refinement
Method to determine structure: SAD / Resolution: 2.01→45.62 Å / Cor.coef. Fo:Fc: 0.946 / Cor.coef. Fo:Fc free: 0.918 / SU B: 4.02 / SU ML: 0.114 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.189 / ESU R Free: 0.171 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE FINAL DIFFERENCE ELECTRON DENSITY MAP SHOWS EXTENSIVE POSITIVE ELECTRON DENSITY WITHIN THE REGION SURROUNDED BY RESIDUES TYR 19, TYR ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. THE FINAL DIFFERENCE ELECTRON DENSITY MAP SHOWS EXTENSIVE POSITIVE ELECTRON DENSITY WITHIN THE REGION SURROUNDED BY RESIDUES TYR 19, TYR 22, GLY 23, SER 24, ASN 25, GLU 98, TYR 105 AND TYR 139. ATTEMPTS TO MODEL THIS DENSITY WITH CRYSTALLIZATION SOLUTION COMPONENTS WERE UNSUCCESSFUL. THE DEPOSITED STRUCTURE FACTOR FILE MAY BE USED TO EXAMINE THIS DENSITY.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.234
1233
5.092 %
RANDOM
Rwork
0.183
-
-
-
obs
0.186
24213
97.5 %
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: BABINET MODEL PLUS MASK
Displacement parameters
Biso mean: 23.54 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-0.436 Å2
0 Å2
0 Å2
2-
-
1.092 Å2
0 Å2
3-
-
-
-0.657 Å2
Refinement step
Cycle: LAST / Resolution: 2.01→45.62 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2681
0
0
141
2822
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.02
0.022
2804
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.506
1.959
3792
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.117
5
350
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.927
25.692
130
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
14.676
15
513
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
8.502
15
8
X-RAY DIFFRACTION
r_chiral_restr
0.114
0.2
400
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
2138
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.209
0.2
1243
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.309
0.2
1919
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.134
0.2
166
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
0.143
0.2
32
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.265
0.2
5
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
2.711
2
1783
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
3.012
4
2777
X-RAY DIFFRACTION
r_scbond_it
5.535
6
1197
X-RAY DIFFRACTION
r_scangle_it
7.909
8
1015
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS refinement shell
Resolution: 2.01→2.06 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.24
67
-
Rwork
0.203
1416
-
obs
-
-
82.11 %
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