Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Jan 4, 2019
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 0.9793 Å / Relative weight: 1
Reflection
Resolution: 2.1→43.322 Å / Num. obs: 51008 / % possible obs: 88.5 % / Redundancy: 4.2 % / CC1/2: 0.995 / Rmerge(I) obs: 0.127 / Net I/σ(I): 9.5
Reflection shell
Resolution: 2.1→2.15 Å / Redundancy: 4.2 % / Rmerge(I) obs: 0.841 / Mean I/σ(I) obs: 1.8 / Num. unique obs: 3585 / CC1/2: 0.602 / % possible all: 59.6
-
Processing
Software
Name
Version
Classification
PHENIX
1.12_2829
refinement
PDB_EXTRACT
3.27
dataextraction
XDS
datareduction
XDS
datascaling
PHENIX
phasing
Refinement
Method to determine structure: SAD / Resolution: 2.1→43.322 Å / SU ML: 0.25 / Cross valid method: THROUGHOUT / σ(F): 1.96 / Phase error: 24.41 / Stereochemistry target values: ML
Rfactor
Num. reflection
% reflection
Rfree
0.2387
2018
3.96 %
Rwork
0.1875
48879
-
obs
0.1896
50897
88.85 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL