3ISG
Structure of the class D beta-lactamase OXA-1 in complex with doripenem
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-07-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.041, 71.613, 93.139 |
| Unit cell angles | 90.00, 99.18, 90.00 |
Refinement procedure
| Resolution | 28.290 - 1.400 |
| R-factor | 0.185 |
| Rwork | 0.184 |
| R-free | 0.20600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m6k |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.365 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (1.3.3) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 3.020 | 1.400 |
| Rmerge | 0.074 | 0.055 | 0.293 |
| Number of reflections | 86546 | ||
| <I/σ(I)> | 13.5 | ||
| Completeness [%] | 96.6 | 98.9 | 88.1 |
| Redundancy | 5.1 | 5.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 10% (v/v) PEG 8000, 50 mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
