3F72
Crystal Structure of the Staphylococcus aureus pI258 CadC Metal Binding Site 2 Mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Collection date | 2008-06-28 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 43 |
| Unit cell lengths | 89.471, 89.471, 148.536 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.300 - 2.310 |
| R-factor | 0.23995 |
| Rwork | 0.237 |
| R-free | 0.28785 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.032 |
| RMSD bond angle | 2.526 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
| Rmerge | 0.098 | 0.064 | 0.430 |
| Number of reflections | 50010 | ||
| Completeness [%] | 97.3 | 99.7 | 79 |
| Redundancy | 7.3 | 7.6 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 1.6 M (NH4)2SO4 and 0.1 M sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
