BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 4 ... BIOMOLECULE: 1, 2 THIS ENTRY CONTAINS THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT WHICH CONSISTS OF 4 CHAIN(S). AUTHORS STATE THAT THE BIOLOGICAL UNIT OF THIS PROTEIN IS UNKNOWN.
Resolution: 1.8→23.06 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.912 / SU B: 5.99 / SU ML: 0.1 / Cross valid method: THROUGHOUT / ESU R: 0.151 / ESU R Free: 0.159 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS, ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS, ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25986
1648
5 %
RANDOM
Rwork
0.18493
-
-
-
obs
0.18861
31311
98.32 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK
Displacement parameters
Biso mean: 21.157 Å2
Baniso -1
Baniso -2
Baniso -3
1-
0.46 Å2
0 Å2
-0.12 Å2
2-
-
-0.92 Å2
0 Å2
3-
-
-
0.45 Å2
Refinement step
Cycle: LAST / Resolution: 1.8→23.06 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3123
0
0
329
3452
Refine LS restraints
Refine-ID
Type
Dev ideal
Dev ideal target
Number
X-RAY DIFFRACTION
r_bond_refined_d
0.019
0.022
3220
X-RAY DIFFRACTION
r_angle_refined_deg
1.687
2.008
4330
X-RAY DIFFRACTION
r_dihedral_angle_1_deg
7.078
5
412
X-RAY DIFFRACTION
r_dihedral_angle_2_deg
35.077
24.062
128
X-RAY DIFFRACTION
r_dihedral_angle_3_deg
15.201
15
587
X-RAY DIFFRACTION
r_dihedral_angle_4_deg
11.665
15
20
X-RAY DIFFRACTION
r_chiral_restr
0.122
0.2
456
X-RAY DIFFRACTION
r_gen_planes_refined
0.007
0.02
2416
X-RAY DIFFRACTION
r_nbd_refined
0.211
0.2
1412
X-RAY DIFFRACTION
r_nbtor_refined
0.313
0.2
2146
X-RAY DIFFRACTION
r_xyhbond_nbd_refined
0.149
0.2
267
X-RAY DIFFRACTION
r_symmetry_vdw_refined
0.193
0.2
106
X-RAY DIFFRACTION
r_symmetry_hbond_refined
0.21
0.2
39
X-RAY DIFFRACTION
r_mcbond_it
1.474
2
2091
X-RAY DIFFRACTION
r_mcangle_it
2.083
3
3230
X-RAY DIFFRACTION
r_scbond_it
3.098
4
1290
X-RAY DIFFRACTION
r_scangle_it
4.06
5
1100
LS refinement shell
Resolution: 1.8→1.847 Å / Total num. of bins used: 20