7BJZ
GLUCOSE ISOMERASE S171W in H32
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 | 2017-10-25 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 132.850, 132.850, 234.850 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 55.870 - 2.130 |
| R-factor | 0.2045 |
| Rwork | 0.203 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9xia |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.490 |
| Data reduction software | xia2 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 55.870 | 2.190 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Number of reflections | 44769 | 3281 |
| <I/σ(I)> | 11.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 13.5 | |
| CC(1/2) | 0.998 | 0.562 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 294 | 30 mg.mL-1 50mM Hepes 7.0 100mM MgCl2 8% (w/v) PEG1000 |
