3HRM
Crystal structure of Staphylococcus aureus protein SarZ in sulfenic acid form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-15 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97935 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.400, 54.030, 113.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 35.420 - 2.300 |
Rwork | 0.238 |
R-free | 0.28600 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.095 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE (2.13) |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.420 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.082 | 0.732 |
Number of reflections | 12976 | |
<I/σ(I)> | 31.722 | |
Completeness [%] | 99.9 | 99.7 |
Redundancy | 6.9 | 6.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 25% PEG 3350, 0.1 M BIS-TRIS, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |