Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9795 Å / Relative weight: 1
Reflection
Resolution: 3.3→76.23 Å / Num. obs: 89499 / % possible obs: 98.8 % / Observed criterion σ(I): 1 / Redundancy: 3.9 % / Rmerge(I) obs: 0.1 / Net I/σ(I): 7.4
Reflection shell
Resolution: 3.3→3.48 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.66 / Mean I/σ(I) obs: 1.9 / % possible all: 98.6
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Processing
Software
Name
Version
Classification
XDS
datareduction
SCALA
datascaling
SHELXD
phasing
SHARP
phasing
PHENIX
1.7.3_928
refinement
Refinement
Method to determine structure: SAD Starting model: NONE Resolution: 3.3→49.549 Å / SU ML: 0.41 / σ(F): 1.35 / Phase error: 25.31 / Stereochemistry target values: ML Details: LINKER REGION BETWEEN 126-141 IS MISSING THERE IS DENSITY BUT TOO POOR TO BUILD THE LINKER RELIABLY.
Rfactor
Num. reflection
% reflection
Rfree
0.2448
4488
5 %
Rwork
0.2252
-
-
obs
0.2262
89468
98.59 %
Solvent computation
Shrinkage radii: 0.86 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 77.903 Å2 / ksol: 0.328 e/Å3