Table 1. X-ray data and refinement statistics for Gl-MIF.
Crystal parameters | Iodide | Native |
---|---|---|
Space group | I213 | I213 |
Cell dimensions a=b=c (Å), α=β=γ | 95.6, 90 | 95.55; 90 |
Data set | ||
X-ray source | X29A, NSLS | 23-IDD, APS |
Wavelength (Å) | 1.54 | 0.97934 |
Resolution (Å) | 50–2.6 (2.67–2.60) | 50–2.30 (2.36–2.30) |
Rmerge | 0.044 (0.529) | 0.032 (0.441) |
I/sigma (I) | 71.0 (9.3) | 33.9 (4.4) |
Completeness | 100 % (100 %) | 100 % (100 %) |
# reflections overall | 198,979 (15,450) | 47,688 (6,594) |
# reflections, unique | 4,744 (359) | 6,594 (494) |
Multiplicity | 42 (43) | 7.2 (7.3) |
Phasing statistics | ||
FOM (PHASER, 50–2.6 Å) | 0.39 | |
FOM (PARROT, 50-2.6Å) | 0.64 | |
Refinement statistics | ||
Rwork | 0.223 | |
Rfree | 0.268 | |
RMSD bond lengths (Å) | 0.012 | |
RMSD bond angles (Å) | 1.63 | |
Ramachandran: | ||
Preferred (%) | 91 (97.9 %) | |
Allowed (%) | 2 (2.1 %) | |
Disallowed | 0 (0 %) | |
Molprobity clash score | 7.65 (97th) | |
Molprobity score | 1.75 (97th) |