8XY8
a beta-lactamase - AmpC
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-09-08 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 84.940, 84.940, 120.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.590 - 2.390 |
| R-factor | 0.21361 |
| Rwork | 0.211 |
| R-free | 0.25465 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.425 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.590 | 2.490 |
| High resolution limit [Å] | 2.390 | 2.390 |
| Rmerge | 0.151 | 0.885 |
| Number of reflections | 18029 | 1823 |
| <I/σ(I)> | 11.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 8.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1 M sodium phosphate (pH 7.5), 0.7 M ammonium sulfate |
