9S2W
The structure of phosphoglucose isomerase in complex with deoxynojirimycin-6-phosphate and a fragment
This is a non-PDB format compatible entry.
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 | 2022-09-23 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 87.370, 101.499, 138.913 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.950 - 1.700 |
| R-factor | 0.1813 |
| Rwork | 0.180 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.772 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.21.2_5419)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.000 | 1.800 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 96075 | 4804 |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 83.3 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.999 | 0.786 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.1 M MgCl2, 0.1 M Hepes-NaOH pH 7.0, 21 % PEG 4000 |
