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: 0.801 Å / Relative weight: 1
Reflection
Resolution: 2.5→57.74 Å / Num. obs: 17377 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 14.14 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 23.86
Reflection shell
Resolution: 2.5→2.52 Å / Redundancy: 14.44 % / Rmerge(I) obs: 0.72 / Mean I/σ(I) obs: 3.12 / % possible all: 100
-
Processing
Software
Name
Version
Classification
REFMAC
5.2.0019
refinement
MOSFLM
datareduction
SCALA
datascaling
MOLREP
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.5→100 Å / Cor.coef. Fo:Fc: 0.932 / Cor.coef. Fo:Fc free: 0.901 / SU B: 11.371 / SU ML: 0.146 / Cross valid method: THROUGHOUT / ESU R: 0.25 / ESU R Free: 0.216 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES G144-T147 WERE NOT MODELED OWING TO INSUFFICIENT ELECTRON DENSITY. THE SIDECHAINS OF D135, R141, K174, D175, T177, AND L178 ARE ...Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES G144-T147 WERE NOT MODELED OWING TO INSUFFICIENT ELECTRON DENSITY. THE SIDECHAINS OF D135, R141, K174, D175, T177, AND L178 ARE ALSO POORLY DEFINED IN THE ELECTRON DENSITY MAP AND FOR THAT REASON WERE NOT MODELED.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2499
879
5.1 %
RANDOM
Rwork
0.21125
-
-
-
obs
0.21315
16459
99.93 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK