9D9E
Candida albicans Hsp90 nucleotide binding domain in complex with BRI2217
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | RIGAKU MICROMAX-003 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-06-09 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.542 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.806, 80.448, 121.756 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.590 - 2.030 |
| R-factor | 0.1829 |
| Rwork | 0.181 |
| R-free | 0.22750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.260 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.590 | 2.080 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.110 | 0.703 |
| Rmeas | 0.121 | 0.803 |
| Rpim | 0.051 | 0.381 |
| Total number of observations | 168266 | 9387 |
| Number of reflections | 30512 | 2201 |
| <I/σ(I)> | 11.9 | 2 |
| Completeness [%] | 99.9 | |
| Redundancy | 5.5 | 4.3 |
| CC(1/2) | 0.998 | 0.777 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 24% PEG6000, 0.1M Cacodylates pH 6.2, 0.2 M Ca Acetate, 20% glycerol. Grew on fiber contaminant |
