9D9I
Human Hsp90b nucleotide binding domain in complex with BRI2312
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 | 2021-05-07 |
| Detector | DECTRIS EIGER R 1M |
| Wavelength(s) | 1.54189 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 66.794, 90.524, 97.451 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.841 - 1.500 |
| Rwork | 0.159 |
| R-free | 0.18680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 2.011 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430 (refmacat 0.4.77)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.210 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.047 | 0.582 |
| Rmeas | 0.052 | 0.704 |
| Rpim | 0.021 | 0.385 |
| Total number of observations | 228923 | 5732 |
| Number of reflections | 46661 | 2030 |
| <I/σ(I)> | 15.5 | 1.7 |
| Completeness [%] | 98.2 | |
| Redundancy | 4.9 | 2.8 |
| CC(1/2) | 0.999 | 0.733 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 21% PEG6000, 0.1M NaCacodylate pH 6.6, 1M Li |
