4S2I
CTX-M-15 in complex with Avibactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-13 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.010, 60.650, 71.500 |
| Unit cell angles | 90.00, 104.00, 90.00 |
Refinement procedure
| Resolution | 33.870 - 1.600 |
| R-factor | 0.174 |
| Rwork | 0.173 |
| R-free | 0.19840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.080 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.700 | 1.690 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 65627 | |
| Completeness [%] | 96.7 | 95.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298.15 | 0.2M ammonium sulphate, 0.1M MES pH 6.5, 30% PEG 5K MME, 5mM avibactam, VAPOR DIFFUSION, SITTING DROP, temperature 298.15K |
