3G31
CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1)
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 | 2008-04-11 |
| Detector | ADSC QUANTUM Q315r |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.279, 106.765, 47.777 |
| Unit cell angles | 90.00, 101.74, 90.00 |
Refinement procedure
| Resolution | 46.780 - 1.700 |
| R-factor | 0.17 |
| Rwork | 0.168 |
| R-free | 0.20300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylj |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.668 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | REFMAC (5.2.0019) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.103 | 0.400 |
| Number of reflections | 48267 | |
| <I/σ(I)> | 10.817 | |
| Completeness [%] | 98.6 | 87.1 |
| Redundancy | 3.5 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.7 | 292 | Potassium Phosphate, pH 8.7, vapor diffusion, hanging drop, temperature 292K |
