1XAI
CRYSTAL STRUCTURE OF STAPHLYOCOCCUS AUREUS 3-DEHYDROQUINATE SYNTHASE (DHQS) IN COMPLEX WITH ZN2+, NAD+ AND CARBAPHOSPHONATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 2002-08-01 |
| Detector | CCD |
| Wavelength(s) | 0.9333 |
| Spacegroup name | P 43 |
| Unit cell lengths | 54.898, 54.898, 229.111 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.010 - 2.300 |
| R-factor | 0.211 |
| Rwork | 0.211 |
| R-free | 0.31200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xag |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.044 | 0.247 |
| Number of reflections | 29301 | |
| <I/σ(I)> | 23.46 | 3.69 |
| Completeness [%] | 97.9 | 96.7 |
| Redundancy | 3.1 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | PEG3350, K2so4, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
