Method to determine structure: MOLECULAR REPLACEMENT Starting model: inhouse model Resolution: 1.81→42.977 Å / FOM work R set: 0.7319 / Cross valid method: THROUGHOUT / σ(F): 1.36 / Phase error: 33.02 / Stereochemistry target values: TWIN_LSQ_F Details: beautiful example of almost perfectly merohedrally twinned monoclinic form with beta=90deg, emulating orthorhombic symmetry. molecular replacement in 2mmm clashes for all space groups. ...Details: beautiful example of almost perfectly merohedrally twinned monoclinic form with beta=90deg, emulating orthorhombic symmetry. molecular replacement in 2mmm clashes for all space groups. pseudo-translation and anisotropy mask twinning statistics. effective resolution about 2.2A. extra residues at N-terminus engage in intermolecular beta-sheet to form non-native dimer.
Rfactor
Num. reflection
% reflection
Selection details
Rfree
0.2514
2506
5.17 %
RANDOM
Rwork
0.2059
45997
-
-
obs
0.208
48458
97.37 %
-
Solvent computation
Shrinkage radii: 0.61 Å / VDW probe radii: 0.9 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 43.29 Å2 / ksol: 0.33 e/Å3