3IXD
X-ray crystal structure of the extended-spectrum AmpC V298E mutant beta-lactamase at 2.64 Angstrom resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-13 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.271, 75.852, 84.086 |
| Unit cell angles | 90.00, 100.25, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.640 |
| R-factor | 0.18759 |
| Rwork | 0.185 |
| R-free | 0.23611 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.419 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.5) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 82.761 | 2.780 |
| High resolution limit [Å] | 2.640 | 2.640 |
| Rmerge | 0.089 | 0.378 |
| Number of reflections | 29778 | |
| <I/σ(I)> | 17.9 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.4 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 30% PEG 8000, 0.1M Na cacodylate, 0.2 M ammonium sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
