3KI9
Crystal structure of Staphylococcus aureus metallopeptidase (Sapep/DapE) in the Mn2+ bound form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | OTHER |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-07-02 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 158.150, 158.150, 158.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.880 - 2.900 |
| R-factor | 0.20492 |
| Rwork | 0.202 |
| R-free | 0.26260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3khx independent domains |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.937 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.060 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.108 | 0.563 |
| Number of reflections | 14758 | |
| <I/σ(I)> | 14.2 | 3.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.9 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch method under oil | 6.8 | 293 | 0.2M Megnesium Acetate tetrahydrate, 0.1M Sodium Cacodylate pH 6.8, 22.0% Polyethylene glycol 8000, Microbatch method under oil, temperature 293K |
