5OJZ
D10N variant of beta-phosphoglucomutase from Lactococcus lactis inhibited by a beryllium triflouride phosphoenzyme analogue to 1.3A resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.760, 53.800, 81.550 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.300 - 1.300 |
| R-factor | 0.13721 |
| Rwork | 0.136 |
| R-free | 0.16952 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whe |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.482 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.300 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.056 | 1.040 |
| Rpim | 0.023 | 0.542 |
| Number of reflections | 57228 | 2525 |
| <I/σ(I)> | 16.1 | 1.3 |
| Completeness [%] | 99.0 | 88.3 |
| Redundancy | 16.1 | |
| CC(1/2) | 0.999 | 0.489 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 24-34% PEG 4000 200mM Tris pH 7.5 200mM Sodium Acetate |
