3ORQ
Crystal Structure of N5-Carboxyaminoimidazole synthetase from Staphylococcus aureus complexed with ADP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2010-04-02 |
| Detector | MAR 300 CCD |
| Wavelength(s) | 1.03321 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.409, 53.453, 110.395 |
| Unit cell angles | 90.00, 94.70, 90.00 |
Refinement procedure
| Resolution | 44.100 - 2.230 |
| R-factor | 0.18 |
| Rwork | 0.171 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.436 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Number of reflections | 42717 | |
| <I/σ(I)> | 22.9 | 2.57 |
| Completeness [%] | 94.5 | 63.9 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M BIS-TRIS, 28% w/v polyethylene glycol monomethyl ether 2,000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
