Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray
Radiation wavelength
Wavelength: 1.0332 Å / Relative weight: 1
Reflection
Resolution: 1.85→15 Å / Num. obs: 45297 / % possible obs: 87 % / Observed criterion σ(I): 2 / Redundancy: 1.8 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 8.7
Reflection shell
Resolution: 1.9→2 Å / Redundancy: 1.9 % / Rmerge(I) obs: 0.52 / Mean I/σ(I) obs: 1.6 / % possible all: 84
-
Processing
Software
Name
Version
Classification
REFMAC
5.8.0123
refinement
XDS
datareduction
XSCALE
datascaling
PHASER
phasing
Refinement
Method to determine structure: MOLECULAR REPLACEMENT Starting model: PLASMODIUM KNOWLESI LEURS EDITING DOMAIN Resolution: 1.85→60.64 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.935 / SU B: 5.492 / SU ML: 0.15 / Cross valid method: THROUGHOUT / ESU R: 0.192 / ESU R Free: 0.176 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY PRESENCE OF NCS, RELATE CHAIN A TO CHAIN B
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.25214
2151
4.7 %
RANDOM
Rwork
0.19461
-
-
-
obs
0.19737
43145
86.89 %
-
Solvent computation
Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK