Resolution: 1.7→1.76 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.579 / Mean I/σ(I) obs: 1.87 / Num. unique all: 2637 / Rsym value: 0.579 / % possible all: 100
-
Processing
Software
Name
Version
Classification
PHENIX
(phenix.refine)
refinement
ADSC
Quantum
datacollection
HKL-2000
datareduction
HKL-2000
datascaling
Refinement
Method to determine structure: FOURIER SYNTHESIS / Resolution: 1.7→50 Å / Isotropic thermal model: ISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber Details: ELECTRON DENSITY FOR THE P3 AND P4 R GROUPS WAS WEAK; POSITIONS WERE TENTATIVELY MODELED ON THE BASIS OF MAIN CHAIN INHIBITOR HYDROGEN BONDING AS EXHIBITED IN PDB ENTRY 3E16
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2239
1355
5.08 %
RANDOM
Rwork
0.1769
-
-
-
all
0.1792
26696
-
-
obs
0.1792
26696
99.66 %
-
Displacement parameters
Biso mean: 21.52 Å2
Baniso -1
Baniso -2
Baniso -3
1-
2.371 Å2
0 Å2
0 Å2
2-
-
-0.1646 Å2
0 Å2
3-
-
-
-2.2064 Å2
Refinement step
Cycle: LAST / Resolution: 1.7→50 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
1868
0
62
206
2136
LS refinement shell
Resolution: 1.7→1.76 Å
Rfactor
Num. reflection
% reflection
Rfree
0.2934
150
-
Rwork
0.2337
-
-
obs
-
2480
99.3 %
+
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