2B5R
1B Lactamase / B Lactamase Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-07-01 |
| Detector | NONIUS CAD4 |
| Wavelength(s) | 0.97565 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.799, 124.473, 157.256 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.300 - 1.650 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.900 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | CNS (0.9) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.075 | 0.348 |
| Number of reflections | 109217 | |
| <I/σ(I)> | 18.5 | 4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 298 | PEG 3350, NH4 Acetate, pH 8.5, Microbatch, temperature 298K |
