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 |