5CHM
CRYSTAL STRUCTURE OF Fox-4 cephamycinase complexed with ceftazidime BATSI (LP06)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-01 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.803, 57.144, 56.123 |
| Unit cell angles | 90.00, 95.98, 90.00 |
Refinement procedure
| Resolution | 25.964 - 1.900 |
| R-factor | 0.1732 |
| Rwork | 0.170 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5cgs |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.087 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.6) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.094 | 0.049 | 0.422 |
| Total number of observations | 94986 | ||
| Number of reflections | 27189 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 98.8 | 94.1 | 98 |
| Redundancy | 3.5 | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.05M zinc acetate, 20% PEG 3350 |
