4LEN
CTX-M-9 in complex with the broad spectrum inhibitor 3-(2- carboxyvinyl)benzo(b)thiophene-2-boronic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Detector technology | CCD |
| Collection date | 2004-09 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 45.116, 106.595, 47.680 |
| Unit cell angles | 90.00, 102.03, 90.00 |
Refinement procedure
| Resolution | 19.390 - 1.500 |
| R-factor | 0.16048 |
| Rwork | 0.159 |
| R-free | 0.18174 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ym1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.313 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 1.350 |
| Number of reflections | 82595 |
| Completeness [%] | 85.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 295 | 1.4 M potassium phosphate buffer using microseeding techniques, VAPOR DIFFUSION, HANGING DROP, temperature 295K, pH 8.8 |
