5CTN
Structure of BPu1 beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-13 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.802, 80.002, 64.949 |
| Unit cell angles | 90.00, 92.85, 90.00 |
Refinement procedure
| Resolution | 37.568 - 1.350 |
| R-factor | 0.1609 |
| Rwork | 0.160 |
| R-free | 0.18680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.115 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.600 | 1.400 |
| High resolution limit [Å] | 1.350 | 1.350 |
| Rmerge | 0.705 | |
| Number of reflections | 104369 | |
| <I/σ(I)> | 19.85 | 2.18 |
| Completeness [%] | 97.6 | 94.3 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 2% Tacsimate, 0.1 M sodium citrate pH 5.6, 16% PEG 3,350 |
