3MWF
Crystal structure of Staphylococcus aureus SirA complexed with staphyloferrin B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-08 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.719, 71.588, 72.568 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.370 - 1.700 |
R-factor | 0.183 |
Rwork | 0.182 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.397 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.044 | 0.322 |
Number of reflections | 32691 | |
<I/σ(I)> | 15.7 | 5.8 |
Completeness [%] | 96.6 | 89.6 |
Redundancy | 6.8 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop | 7 | 298 | 30% Jeffamine ED-2001, 0.1M Hepes, pH 7.0, hanging drop, temperature 298K |