6H8Y
T16A variant of beta-phosphoglucomutase from Lactococcus lactis in an open conformer complexed with aluminium tetrafluoride to 1.9 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 | 2018-02-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97950 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.550, 52.840, 78.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.460 - 1.890 |
| R-factor | 0.20918 |
| Rwork | 0.207 |
| R-free | 0.25948 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2whe |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.506 |
| 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] | 31.460 | 1.920 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.096 | 1.698 |
| Rmeas | 0.102 | 1.800 |
| Rpim | 0.034 | 0.593 |
| Number of reflections | 18067 | 877 |
| <I/σ(I)> | 12.6 | 1.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.8 | 9.1 |
| CC(1/2) | 0.999 | 0.580 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 291 | Crystallized in: 24-34% PEG 4000, 200 mM sodium acetate, 50 mM TRIS at pH 7.5 |
