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 |