6QZG
Beta-glucose 1,6-bisphosphonate bound to wild type beta-phosphoglucomutse in an open conformation.
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 | 2015-10-09 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.270, 117.330, 52.780 |
| Unit cell angles | 90.00, 97.78, 90.00 |
Refinement procedure
| Resolution | 58.660 - 2.470 |
| R-factor | 0.19723 |
| Rwork | 0.193 |
| R-free | 0.27827 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.620 |
| Data reduction software | XDS |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.670 | 2.530 |
| High resolution limit [Å] | 2.470 | 2.470 |
| Rmerge | 0.116 | 0.806 |
| Rmeas | 0.162 | 1.120 |
| Rpim | 0.082 | 0.559 |
| Number of reflections | 16554 | 1221 |
| <I/σ(I)> | 8.1 | 1.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 3.8 | 3.9 |
| CC(1/2) | 0.992 | 0.470 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | 24-34% PEG 4000 50 mM TRIS ph 7.5 200 mM sodium acetate |
