4HBU
Crystal structure of CTX-M-15 extended-spectrum beta-lactamase in complex with avibactam (NXL104)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-01 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.918 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 44.483, 45.686, 117.721 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.840 - 1.100 |
| R-factor | 0.10531 |
| Rwork | 0.104 |
| R-free | 0.12241 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hbt |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.625 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 23.540 | 1.160 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Number of reflections | 98124 | |
| Completeness [%] | 99.9 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1M Tris-HCl, 2.2-2.4M ammonium sulfate, pH 8, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
