Method to determine structure: MOLECULAR REPLACEMENT Starting model: AsP2OX WT Resolution: 2.6→73.67 Å / SU ML: 0.27 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 18.49 / Stereochemistry target values: LS_WUNIT_K1 Details: THE REFINEMENT CONVERGED TO R-WORK AND R-FREE OF 0.228 AND 0.282, RESPECTIVELY, WITH A R-FREE SET OF 1414 REFLECTIONS. THE FINAL MODEL WAS THEN REFINED VERSUS THE FULL DATA SET.
Rfactor
Num. reflection
% reflection
Rfree
0.2137
14108
100 %
Rwork
0.2137
14108
-
obs
0.2137
14108
99.46 %
Solvent computation
Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL