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 |