6HDM
R49A variant of beta-phosphoglucomutase from Lactococcus lactis complexed with magnesium trifluoride and beta-G6P to 1.3 A.
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 | 2017-10-09 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.300, 54.340, 104.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.270 - 1.300 |
| R-factor | 0.12712 |
| Rwork | 0.126 |
| R-free | 0.14818 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wf5 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.474 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.340 | 1.320 |
| High resolution limit [Å] | 1.300 | 1.300 |
| Rmerge | 0.052 | 0.263 |
| Rmeas | 0.057 | 0.299 |
| Rpim | 0.022 | 0.138 |
| Number of reflections | 53048 | 2526 |
| <I/σ(I)> | 21.1 | |
| Completeness [%] | 99.7 | 95.3 |
| Redundancy | 6.8 | 4.5 |
| CC(1/2) | 0.999 | 0.944 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 24-34% PEG 4000 200mM sodium acetate 50mM TRIS pH 7.5 |
