9VGV
Crystal Structure of BlaA beta-lactamase in complex with the Antifungal Agent Tavaborole.
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-08-05 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.54184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.494, 72.980, 43.938 |
| Unit cell angles | 90.00, 94.42, 90.00 |
Refinement procedure
| Resolution | 23.516 - 2.500 |
| Rwork | 0.197 |
| R-free | 0.26940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8iwv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 2.157 |
| Data reduction software | CrysalisPro |
| Data scaling software | CrysalisPro |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.440 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 10042 | 1134 |
| <I/σ(I)> | 7.8 | |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.2 | |
| CC(1/2) | 0.998 | 0.925 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M TRIS hydrochloride pH 8.5, 2.0 M Ammonium phosphate monobasic |
