3QNB
Crystal Structure of an Engineered OXA-10 Variant with Carbapenemase Activity, OXA-10loop24
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 32 |
| Unit cell lengths | 81.330, 81.330, 151.921 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 25.820 - 1.950 |
| R-factor | 0.16852 |
| Rwork | 0.166 |
| R-free | 0.20967 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k55 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.616 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.430 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.086 | 0.323 |
| Number of reflections | 81931 | |
| <I/σ(I)> | 9.2 | 3.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.2 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 2.8 M ammonium sulfate, 0.1 M Tris, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298.0K |
