6HDK
R49A variant of beta-phosphoglucomutase from Lactococcus lactis complexed with aluminium tetrafluoride and beta-G6P to 1.2 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 | 2016-04-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.230, 54.290, 104.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 52.170 - 1.240 |
| R-factor | 0.13746 |
| Rwork | 0.136 |
| R-free | 0.16724 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wf6 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.496 |
| 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] | 54.290 | 1.260 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.099 | 1.019 |
| Rmeas | 0.107 | 1.131 |
| Rpim | 0.040 | 0.480 |
| Number of reflections | 60728 | 2904 |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 100.0 | 97.9 |
| Redundancy | 7 | 5.3 |
| CC(1/2) | 0.999 | 0.530 |
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 |
