Resolution: 2.7→40 Å / Data cutoff high absF: 0 / Data cutoff low absF: 0 / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber Details: THE PERFECT MEROHEDRAL TWINNING WAS DETECTED IN THE CRYSTALS WITH THE TWINNING OPERATOR {-H,-K,L}. THE REFINEMENT STATISTICS PRESENTED FOR THIS ENTRY CORRESPONDS TO THE REFINEMENT CARRIED ...Details: THE PERFECT MEROHEDRAL TWINNING WAS DETECTED IN THE CRYSTALS WITH THE TWINNING OPERATOR {-H,-K,L}. THE REFINEMENT STATISTICS PRESENTED FOR THIS ENTRY CORRESPONDS TO THE REFINEMENT CARRIED OUT USING THE TWINNING OPTION OF THE CNS PROGRAM. FOR THE DEPOSITION THE DIFFRACTION DATA WERE DETWINNED USING THE CNS PROGRAM. THEREFORE, SOME REFLECTIONS WERE LOST DUE TO THE DETWINNING PROCEDURE AND ARE MISSING IN THE DEPOSITED SF FILE, WHEREAS THE REFINEMENT STATISTICS CALCULATED BASED ON THE DETWINNED ATA MIGHT BE SLIGHTLY DIFFERENT FROM THOSE OBTAINED DURING THE "TWINNED" REFINEMENT INCLUDED IN THIS ENTRY. THE ZONAL SCALING CORRECTION (VASSYLYEV ET AL. NATURE, 448, 2007) WAS APPLIED TO THE EXPERIMENTAL STRUCTURE FACTORS DEPOSITED WITH THIS ENTRY
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.27
18510
4.3 %
RANDOM
Rwork
0.24
-
-
-
all
0.243
422394
-
-
obs
0.24
422394
97.7 %
-
Displacement parameters
Biso mean: 57.61 Å2
Refine analyze
Free
Obs
Luzzati coordinate error
0.4 Å
0.37 Å
Luzzati d res low
-
5 Å
Luzzati sigma a
0.44 Å
0.42 Å
Refinement step
Cycle: LAST / Resolution: 2.7→40 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
52778
0
66
4496
57340
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
c_bond_d
0.015
X-RAY DIFFRACTION
c_angle_deg
1.99
X-RAY DIFFRACTION
c_dihedral_angle_d
24.73
X-RAY DIFFRACTION
c_improper_angle_d
1.22
LS refinement shell
Resolution: 2.7→2.8 Å
Rfactor
Num. reflection
% reflection
Rfree
0.323
1718
4 %
Rwork
0.299
35085
-
obs
-
37656
93.2 %
+
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