3O1N
1.03 Angstrom Crystal Structure of Q236A Mutant Type I Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-22 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 45.433, 46.476, 55.790 |
| Unit cell angles | 104.23, 97.50, 98.70 |
Refinement procedure
| Resolution | 26.620 - 1.030 |
| R-factor | 0.14132 |
| Rwork | 0.140 |
| R-free | 0.16161 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l2i |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.464 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.050 |
| High resolution limit [Å] | 1.030 | 1.030 |
| Rmerge | 0.068 | 0.333 |
| Number of reflections | 196964 | |
| <I/σ(I)> | 15 | 3.7 |
| Completeness [%] | 92.7 | 84.9 |
| Redundancy | 4.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | Protein: 7.5 mg/mL, 0.5M Sodium Chloride, 0.01M Tris-HCL (pH 8.3); Screen: Classics II (H1), 0.2M Magnesium chloride, 0.1M Tris, pH 8.5, 25% (w/v) PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
