positive regulation of translation initiation in response to endoplasmic reticulum stress / negative regulation of endoplasmic reticulum stress-induced eIF2 alpha phosphorylation / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / Post-translational protein phosphorylation / protein folding in endoplasmic reticulum / misfolded protein binding / cellular response to cold / protein kinase inhibitor activity / smooth endoplasmic reticulum / endoplasmic reticulum unfolded protein response ...positive regulation of translation initiation in response to endoplasmic reticulum stress / negative regulation of endoplasmic reticulum stress-induced eIF2 alpha phosphorylation / Regulation of Insulin-like Growth Factor (IGF) transport and uptake by Insulin-like Growth Factor Binding Proteins (IGFBPs) / Post-translational protein phosphorylation / protein folding in endoplasmic reticulum / misfolded protein binding / cellular response to cold / protein kinase inhibitor activity / smooth endoplasmic reticulum / endoplasmic reticulum unfolded protein response / Neutrophil degranulation / response to endoplasmic reticulum stress / proteolysis involved in protein catabolic process / negative regulation of protein kinase activity / protein-folding chaperone binding / endoplasmic reticulum lumen / negative regulation of apoptotic process / protein kinase binding / endoplasmic reticulum / cytoplasm / cytosol Similarity search - Function
Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Dec 1, 2007
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1 Å / Relative weight: 1
Reflection
Resolution: 2.5→50 Å / Num. obs: 32991
-
Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
SOLVE
phasing
CNS
refinement
HKL-2000
datacollection
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: SAD / Resolution: 2.51→39.28 Å / Cor.coef. Fo:Fc: 0.912 / Cor.coef. Fo:Fc free: 0.878 / SU B: 10.117 / SU ML: 0.223 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.544 / ESU R Free: 0.326 Stereochemistry target values: MAXIMUM LIKELIHOOD WITH PHASES Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.28435
1349
4 %
RANDOM
Rwork
0.24549
-
-
-
obs
0.24703
32068
85.95 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK
Displacement parameters
Biso mean: 43.637 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.46 Å2
0 Å2
1.52 Å2
2-
-
-0.1 Å2
0 Å2
3-
-
-
1.13 Å2
Refinement step
Cycle: LAST / Resolution: 2.51→39.28 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
5762
0
0
116
5878
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.009
0.022
5846
X-RAY DIFFRACTION
r_bond_other_d
X-RAY DIFFRACTION
r_angle_refined_deg
1.115
1.978
7852
X-RAY DIFFRACTION
r_angle_other_deg
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
4.549
5
716
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
39.991
25.101
298
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
20.309
15
1148
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
19.741
15
40
X-RAY DIFFRACTION
r_chiral_restr
0.09
0.2
860
X-RAY DIFFRACTION
r_gen_planes_refined
0.003
0.02
4376
X-RAY DIFFRACTION
r_gen_planes_other
X-RAY DIFFRACTION
r_nbd_refined
0.213
0.2
2728
X-RAY DIFFRACTION
r_nbd_other
X-RAY DIFFRACTION
r_nbtor_refined
0.301
0.2
4027
X-RAY DIFFRACTION
r_nbtor_other
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.15
0.2
188
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
0.204
0.2
44
X-RAY DIFFRACTION
r_symmetry_vdw_other
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.109
0.2
9
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
0.699
1.5
3660
X-RAY DIFFRACTION
r_mcbond_other
X-RAY DIFFRACTION
r_mcangle_it
1.045
2
5720
X-RAY DIFFRACTION
r_scbond_it
1.436
3
2391
X-RAY DIFFRACTION
r_scangle_it
2.465
4.5
2132
X-RAY DIFFRACTION
r_rigid_bond_restr
X-RAY DIFFRACTION
r_sphericity_free
X-RAY DIFFRACTION
r_sphericity_bonded
LS refinement shell
Resolution: 2.51→2.574 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.334
81
-
Rwork
0.304
1860
-
obs
-
-
68.15 %
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
4.6982
-2.7053
-1.4669
2.608
0.9988
1.0599
-0.0393
-0.1556
0.1803
0.0001
0.0835
0.0646
0.0288
0.1722
-0.0442
-0.0928
0.0272
0.0091
-0.0494
-0.0198
-0.0292
1.4647
29.0754
48.8147
2
4.655
-3.3186
-1.6291
3.1523
2.019
2.3085
-0.3164
-0.2482
0.3646
0.176
0.3389
-0.0611
0.2481
0.29
-0.0226
-0.0368
-0.0024
0.045
-0.1287
0.0385
-0.0219
19.7883
28.3294
81.242
3
0.7573
-0.0746
0.9846
0.3481
1.2263
7.0769
-0.1316
0.0142
-0.0021
-0.1146
-0.1114
0.1978
-0.0139
-0.2784
0.2431
0.0355
0.0368
-0.0601
-0.0111
-0.0409
-0.0021
15.0885
10.1296
19.9026
4
0.318
-0.2434
0.6118
0.5735
0.2655
7.425
-0.1171
-0.0341
-0.0898
0.0765
-0.0177
0.015
0.1673
0.1479
0.1347
-0.0666
0.0925
-0.0504
0.0602
-0.021
-0.0659
37.4091
11.3503
53.4654
Refinement TLS group
ID
Refine-ID
Refine TLS-ID
Auth asym-ID
Auth seq-ID
1
X-RAY DIFFRACTION
1
A
152 - 266
2
X-RAY DIFFRACTION
2
B
152 - 266
3
X-RAY DIFFRACTION
3
A
267 - 393
4
X-RAY DIFFRACTION
4
B
267 - 393
+
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