9RD4
The structure of Candida albicans phosphoglucose isomerase in complex with 1-deoxynojirimycin-6-phosphate
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 | 86.966, 101.398, 134.049 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.900 - 1.710 |
| R-factor | 0.18469 |
| Rwork | 0.183 |
| R-free | 0.21160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.615 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.900 | 1.740 |
| High resolution limit [Å] | 1.710 | 1.710 |
| Number of reflections | 124894 | 4627 |
| <I/σ(I)> | 17.7 | |
| Completeness [%] | 96.7 | |
| Redundancy | 11.9 | |
| CC(1/2) | 0.999 | 0.779 |
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 |
