2ZQD
Ceftazidime acyl-intermediate structure of class a beta-lact 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 | 2008-02-20 |
| Detector | RIGAKU JUPITER 210 |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 72.413, 72.413, 97.665 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 1.190 |
| R-factor | 0.13972 |
| Rwork | 0.139 |
| R-free | 0.15870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zq7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.494 |
| 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 | 1.210 |
| High resolution limit [Å] | 1.190 | 1.190 |
| Rmerge | 0.056 | 0.375 |
| Number of reflections | 95363 | |
| <I/σ(I)> | 42.97 | 5.02 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 10.4 | 7.8 |
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 |
