Mass: 18.015 Da / Num. of mol.: 160 / Source method: isolated from a natural source / Formula: H2O
Sequence details
PROTEIN IS A CHIMERA COMPRISING MBP (UNP RESIDUES 27-395) AND THE C-TERMINAL DOMAIN (UNP RESIDUES ...PROTEIN IS A CHIMERA COMPRISING MBP (UNP RESIDUES 27-395) AND THE C-TERMINAL DOMAIN (UNP RESIDUES 263-294) OF SURVIVAL MOTOR NEURON PROTEIN.
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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: 2.59 Å3/Da / Density % sol: 52.45 %
Crystal grow
Temperature: 294.15 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 0.1 M Tris-HCl, pH 8.0, 14% w/v PEG3350, 10 mM calcium chloride, 0.1 M potassium chloride, 0.1 M ammonium sulfate, 18% ethylene glycol, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K
Resolution: 1.903→26.734 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.918 / SU B: 3.664 / SU ML: 0.11 / Cross valid method: THROUGHOUT / ESU R: 0.171 / ESU R Free: 0.159 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.24709
-
5 %
RANDOM
Rwork
0.20304
-
-
-
all
0.20533
35715
-
-
obs
0.20533
35714
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Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK
Displacement parameters
Biso mean: 25.075 Å2
Baniso -1
Baniso -2
Baniso -3
1-
1.16 Å2
0 Å2
1.63 Å2
2-
-
-1.75 Å2
0 Å2
3-
-
-
1.73 Å2
Refinement step
Cycle: LAST / Resolution: 1.903→26.734 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3033
0
0
160
3193
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.024
0.022
3136
X-RAY DIFFRACTION
r_angle_refined_deg
1.982
1.96
4258
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
6.571
5
393
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
37.303
25.441
136
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
17.863
15
530
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
16.45
15
7
X-RAY DIFFRACTION
r_chiral_restr
0.159
0.2
455
X-RAY DIFFRACTION
r_gen_planes_refined
0.01
0.021
2393
X-RAY DIFFRACTION
r_mcbond_it
1.257
1.5
1946
X-RAY DIFFRACTION
r_mcangle_it
2.073
2
3122
X-RAY DIFFRACTION
r_scbond_it
3.388
3
1190
X-RAY DIFFRACTION
r_scangle_it
5.105
4.5
1136
LS refinement shell
Resolution: 1.903→1.952 Å / Total num. of bins used: 20
Rfactor
Num. reflection
% reflection
Rfree
0.322
116
-
Rwork
0.248
2175
-
obs
-
-
86.65 %
+
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