4EQW
Crystal Structure of the Y361F, 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] | 293 |
| Detector technology | CCD |
| Collection date | 2008-12-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 76.200, 65.520, 94.710 |
| Unit cell angles | 90.00, 104.78, 90.00 |
Refinement procedure
| Resolution | 33.125 - 1.500 |
| R-factor | 0.1826 |
| Rwork | 0.180 |
| R-free | 0.20670 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.027 |
| 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] | 53.290 | 53.290 | 1.550 |
| High resolution limit [Å] | 1.500 | 3.230 | 1.500 |
| Rmerge | 0.063 | 0.045 | 0.294 |
| Total number of observations | 102010 | 61505 | |
| Number of reflections | 140142 | ||
| <I/σ(I)> | 16 | 38.6 | 4.1 |
| Completeness [%] | 97.1 | 97.5 | 77.5 |
| Redundancy | 6.92 | 6.9 | 5.2 |
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 |
