Resolution: 2.8→2.87 Å / Redundancy: 2.8 % / Rmerge(I) obs: 0.346 / Mean I/σ(I) obs: 2.08 / % possible all: 59.3
-
Processing
Software
Name
Classification
HKL-2000
datacollection
CNS
refinement
HKL-2000
datareduction
SCALEPACK
datascaling
CNS
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: built using SAD data sets from Hg and SeMet crystals Resolution: 2.8→50 Å / σ(F): 1 / Stereochemistry target values: Engh & Huber
Rfactor
Num. reflection
Selection details
Rfree
0.2922
1569
random
Rwork
0.2671
-
-
all
0.2922
38149
-
obs
0.2671
31613
-
Refinement step
Cycle: LAST / Resolution: 2.8→50 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
3594
0
132
2
3728
Refine LS restraints
Refine-ID
Type
Dev ideal
X-RAY DIFFRACTION
c_bond_d
0.009235
X-RAY DIFFRACTION
c_angle_deg
1.21886
LS refinement shell
Resolution: 2.8→2.83 Å /
Rfactor
Num. reflection
Rfree
0.2752
4
Rwork
0.3017
-
obs
-
44
+
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