3G34
CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE)
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 | 2008-06-21 |
| Detector | ADSC QUANTUM Q315r |
| Wavelength(s) | 1.11587 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.141, 106.886, 47.445 |
| Unit cell angles | 90.00, 101.63, 90.00 |
Refinement procedure
| Resolution | 29.220 - 1.310 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.18000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylj |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.325 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.360 |
| High resolution limit [Å] | 1.310 | 2.820 | 1.310 |
| Rmerge | 0.056 | 0.036 | 0.274 |
| Number of reflections | 106102 | ||
| Completeness [%] | 99.9 | 99.6 | 99.9 |
| Redundancy | 3.9 | 4 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 292 | Potassium Phosphate, pH 8.7, vapor diffusion, hanging drop, temperature 292K |
