4EQR
Crystal structure of the Y361F mutant of Staphylococcus aureus CoADR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.880, 65.090, 94.410 |
| Unit cell angles | 90.00, 104.72, 90.00 |
Refinement procedure
| Resolution | 22.258 - 1.800 |
| R-factor | 0.1867 |
| Rwork | 0.185 |
| R-free | 0.22620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.047 |
| Data reduction software | d*TREK (9.1L) |
| Data scaling software | d*TREK (9.1L) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 53.000 | 53.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.104 | 0.052 | 0.459 |
| Total number of observations | 62980 | 56145 | |
| Number of reflections | 160762 | ||
| <I/σ(I)> | 7.9 | 21.1 | 2.7 |
| Completeness [%] | 99.9 | 99 | 100 |
| Redundancy | 7.07 | 7.17 | 6.85 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 293 | PEG 400, magnesium chloride, HEPES, NADP+, pH 7.2, vapor diffusion, sitting drop, temperature 293K, VAPOR DIFFUSION, SITTING DROP |
