2R9X
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 | 2007-08-23 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 118.857, 76.737, 97.671 |
| Unit cell angles | 90.00, 116.56, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.900 |
| R-factor | 0.161 |
| Rwork | 0.159 |
| R-free | 0.19400 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.382 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
| Rmerge | 0.067 | 0.035 | 0.420 |
| Number of reflections | 60696 | ||
| <I/σ(I)> | 12.1 | ||
| Completeness [%] | 98.6 | 99.7 | 97 |
| Redundancy | 2.9 | 2.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 291 | 1.7M KiPO4, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
