2ZQ9
Cephalothin acyl-intermediate structure of class a beta-lactamase Toho-1 E166A/R274N/R276N triple mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL26B1 |
| Synchrotron site | SPring-8 |
| Beamline | BL26B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-11 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 72.421, 72.421, 97.518 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.070 |
| R-factor | 0.13329 |
| Rwork | 0.133 |
| R-free | 0.14625 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zq7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.631 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.090 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmerge | 0.044 | 0.295 |
| Number of reflections | 129204 | |
| <I/σ(I)> | 47.01 | 5.61 |
| Completeness [%] | 99.0 | 91.5 |
| Redundancy | 9.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 1.95-2.10M ammonium sulfate, 0.2M sodium citrate, PH5.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
