5XHR
Crystal structure of P99 beta-lactamase in complex with a penicillin derivative MPC-1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17B1 |
| Synchrotron site | SSRF |
| Beamline | BL17B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-06-13 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.91836 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 61.160, 69.330, 76.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.000 - 1.800 |
| R-factor | 0.21289 |
| Rwork | 0.212 |
| R-free | 0.23310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xx2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.211 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.330 | 1.900 |
| High resolution limit [Å] | 1.740 | 1.800 |
| Rmerge | 0.087 | 0.292 |
| Number of reflections | 30924 | |
| <I/σ(I)> | 13.3 | 6.2 |
| Completeness [%] | 99.4 | 99.4 |
| Redundancy | 6.8 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Bis-Tris pH 6.5, 25% PEG3350 |
