9G47
The structure of Candida albicans phosphoglucose isomerase in complex with a fragment binder
This is a non-PDB format compatible entry.
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 | 2023-07-03 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.777, 101.212, 135.322 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.050 - 1.510 |
| R-factor | 0.2122 |
| Rwork | 0.211 |
| R-free | 0.22650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.787 |
| Data reduction software | autoPROC |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 81.050 | 1.569 |
| High resolution limit [Å] | 1.506 | 1.506 |
| Number of reflections | 154412 | 7721 |
| <I/σ(I)> | 19.6 | |
| Completeness [%] | 84.2 | |
| Redundancy | 11.4 | |
| CC(1/2) | 1.000 | 0.983 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1 M MgCl2, 0.1 M Hepes-NaOH pH 7.0, 21 % PEG4000 |
