3DI1
Crystal structure of the Staphylococcus aureus Dihydrodipicolinate synthase-pyruvate complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-06-24 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.99 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 117.440, 117.440, 182.616 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 58.720 - 2.200 |
| R-factor | 0.19073 |
| Rwork | 0.188 |
| R-free | 0.23881 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3di0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.536 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.800 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.455 |
| Number of reflections | 38506 | |
| <I/σ(I)> | 21.7 | 6.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 10.3 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 2M Ammonium sulfate, 0.1M Bis-Tris pH 6.5, 100mM pyruvate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
