3G30
CTX-M-9 class A beta-lactamase complexed with compound 3 (G30)
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 | 2008-07-28 |
Detector | ADSC QUANTUM Q315r |
Wavelength(s) | 1.11587 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 41.803, 41.803, 230.542 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 38.430 - 1.800 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.24500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ylj |
RMSD bond length | 0.017 |
RMSD bond angle | 1.697 |
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 | 1.860 |
High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
Rmerge | 0.090 | 0.031 | 0.792 |
Number of reflections | 22863 | ||
Completeness [%] | 99.7 | 99.6 | 98.5 |
Redundancy | 7.4 | 6.9 | 5.9 |
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 |