3HSR
Crystal structure of Staphylococcus aureus protein SarZ in mixed disulfide 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 | 2008-10-13 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9793 |
Spacegroup name | P 1 |
Unit cell lengths | 38.240, 62.840, 67.200 |
Unit cell angles | 64.40, 75.81, 82.58 |
Refinement procedure
Resolution | 50.000 - 1.900 |
R-factor | 0.199 |
Rwork | 0.196 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hrm |
RMSD bond length | 0.013 |
RMSD bond angle | 1.440 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (1.3.3) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.950 |
High resolution limit [Å] | 1.880 | 4.050 | 1.880 |
Rmerge | 0.042 | 0.021 | 0.299 |
Number of reflections | 40152 | ||
<I/σ(I)> | 17.541 | ||
Completeness [%] | 91.0 | 98.2 | 64.7 |
Redundancy | 1.9 | 2 | 1.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 25% PEG 3350, 0.2 M ammonium acetate, 0.1 M TRIS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |