6H8X
Beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with magnesium trifluoride to 1.8 A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-03-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.160, 116.980, 53.110 |
| Unit cell angles | 90.00, 98.93, 90.00 |
Refinement procedure
| Resolution | 23.310 - 1.830 |
| R-factor | 0.18477 |
| Rwork | 0.183 |
| R-free | 0.22583 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whe |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.537 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.400 | 1.860 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.100 | 1.258 |
| Rmeas | 0.108 | 1.355 |
| Rpim | 0.040 | 0.501 |
| Number of reflections | 39841 | 1922 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 98.5 | 97.8 |
| Redundancy | 7 | 7.2 |
| CC(1/2) | 0.999 | 0.568 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | Initial (open) crystals grown in: 24-32% PEG 4000 200 mM sodium acetate 50 mM TRIS pH 7.5 Crystals cryoprotected in original mother liquor plus: 25% ethylene glycol 15 mM sodium fluoride |
