8IWV
Crystal structure of BlaA-1 APO
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-03-29 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.541838 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 89.450, 72.647, 43.887 |
| Unit cell angles | 90.00, 94.30, 90.00 |
Refinement procedure
| Resolution | 28.160 - 2.400 |
| Rwork | 0.157 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.427 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.160 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.130 | 0.284 |
| Rmeas | 0.150 | 0.326 |
| Rpim | 0.072 | 0.155 |
| Number of reflections | 11023 | 11023 |
| <I/σ(I)> | 9.9 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.6 | 7.7 |
| CC(1/2) | 0.992 | 0.973 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M TRIS hydrochloride pH 8.5, 2.0 M Ammonium phosphate monobasic |
