3QNC
Crystal Structure of a Rationally Designed OXA-10 Variant Showing Carbapenemase Activity, OXA-10loop48
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-29 |
| Detector | ADSC QUANTUM 4r |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.210, 97.010, 125.870 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.830 - 1.600 |
| R-factor | 0.1749 |
| Rwork | 0.174 |
| R-free | 0.20138 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PCD ENTRY 1K55 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.342 |
| 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] | 28.760 | 1.680 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.069 | 0.372 |
| Number of reflections | 79252 | |
| <I/σ(I)> | 15.8 | 4.4 |
| Completeness [%] | 98.2 | 95.8 |
| Redundancy | 7 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 298 | 2.9 M ammonium sulfate, 0.1 M Bicine, pH 9.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
