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 |