SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED.
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.0723 Å / Relative weight: 1
Reflection
Resolution: 2.5→74.95 Å / Num. obs: 21507 / % possible obs: 98.1 % / Observed criterion σ(I): 0 / Redundancy: 5.6 % / Biso Wilson estimate: 46.559 Å2 / Rmerge(I) obs: 0.11 / Net I/σ(I): 4.8
Reflection shell
Resolution: 2.5→2.64 Å / Redundancy: 5.7 % / Rmerge(I) obs: 0.34 / Mean I/σ(I) obs: 1.9 / % possible all: 99
-
Processing
Software
Name
Classification
BUSTER-TNT
refinement
MOSFLM
datareduction
SCALA
datascaling
AMoRE
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: IN-HOUSE APOSTRUCTURE Resolution: 2.5→74.95 Å / Cor.coef. Fo:Fc: 0.928 / Cross valid method: THROUGHOUT / σ(F): 0 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2402
1684
7.8 %
RANDOM
Rwork
0.1922
-
-
-
obs
0.196
21476
97.37 %
-
Displacement parameters
Biso mean: 38.58 Å2
Baniso -1
Baniso -2
Baniso -3
1-
-18.34068135 Å2
0 Å2
0 Å2
2-
-
-5.96959044 Å2
0 Å2
3-
-
-
24.31027179 Å2
Refinement step
Cycle: LAST / Resolution: 2.5→74.95 Å
Protein
Nucleic acid
Ligand
Solvent
Total
Num. atoms
2989
0
35
156
3180
LS refinement shell
Resolution: 2.5→2.65 Å / Total num. of bins used: 9
Rfactor
Num. reflection
% reflection
Rfree
0.2892
266
7.7 %
Rwork
0.2347
3188
-
all
0.2388
3454
-
obs
-
-
97.37 %
+
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