6H90
K145A variant of beta-phosphoglucomutase from Lactococcus lactis inhibited by beryllium trifluoride to 1.3 A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.320, 53.630, 81.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.750 - 1.310 |
| R-factor | 0.13672 |
| Rwork | 0.135 |
| R-free | 0.16270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.490 |
| Data reduction software | xia2 (3dii) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.750 | 1.340 |
| High resolution limit [Å] | 1.310 | 1.310 |
| Rmerge | 0.068 | 1.101 |
| Rmeas | 0.081 | 1.335 |
| Rpim | 0.032 | 0.517 |
| Number of reflections | 55835 | 4062 |
| <I/σ(I)> | 13.1 | 1.5 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 6.5 | 6.5 |
| CC(1/2) | 0.999 | 0.539 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 24-34% PEG 4000 200mM sodium acetate 100mM TRIS pH 7.5 |
