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 |