2PU2
AmpC beta-lactamase with bound Phthalamide inhibitor
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 | 2006-10-06 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.721, 76.842, 97.495 |
| Unit cell angles | 90.00, 115.80, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.860 |
| R-factor | 0.179 |
| Rwork | 0.178 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l2s |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.404 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 4.010 | 1.860 |
| Rmerge | 0.056 | 0.028 | 0.539 |
| Number of reflections | 65664 | ||
| <I/σ(I)> | 10.7 | ||
| Completeness [%] | 99.5 | 100 | 95.5 |
| Redundancy | 5.5 | 5.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 291 | pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
