4EQS
Crystal structure of the Y419F 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 | 76.180, 65.420, 94.570 |
| Unit cell angles | 90.00, 104.74, 90.00 |
Refinement procedure
| Resolution | 51.345 - 1.500 |
| R-factor | 0.178 |
| Rwork | 0.175 |
| R-free | 0.20080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.032 |
| 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] | 51.350 | 51.350 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.045 | 0.025 | 0.366 |
| Total number of observations | 99072 | 73959 | |
| Number of reflections | 137217 | ||
| <I/σ(I)> | 17.1 | 49.9 | 4.6 |
| Completeness [%] | 95.4 | 96.8 | 79.8 |
| Redundancy | 7.28 | 6.91 | 6.37 |
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 |
