3G35
CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
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 1 21 1 |
| Unit cell lengths | 45.265, 107.243, 47.727 |
| Unit cell angles | 90.00, 99.93, 90.00 |
Refinement procedure
| Resolution | 35.360 - 1.410 |
| R-factor | 0.156 |
| Rwork | 0.155 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ylj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.164 |
| 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 | 1.460 |
| High resolution limit [Å] | 1.410 | 3.040 | 1.410 |
| Rmerge | 0.053 | 0.031 | 0.334 |
| Number of reflections | 84626 | ||
| Completeness [%] | 98.6 | 99.5 | 94 |
| Redundancy | 2.5 | 2.6 | 2.2 |
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 |
