1RGY
Citrobacter freundii GN346 Class C beta-Lactamase Complexed with Transition-State Analog of Cefotaxime
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL40B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL40B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-05-22 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.000, 72.230, 86.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.520 |
| R-factor | 0.195 |
| Rwork | 0.195 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fr1 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS (1.1) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.570 |
| High resolution limit [Å] | 1.520 | 1.520 |
| Number of reflections | 56830 | |
| <I/σ(I)> | 9.1 | 2.4 |
| Completeness [%] | 97.3 | 93.8 |
| Redundancy | 8.4 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 296 | PEG 8000, HEPES, MPD, Urea, phosphonate inhibitor, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 296K |
