3ORR
Crystal Structure of N5-Carboxyaminoimidazole synthetase from Staphylococcus aureus
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2009-02-27 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97951, 0.97937, 0.97196 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 66.112, 53.327, 107.406 |
| Unit cell angles | 90.00, 95.34, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.230 |
| R-factor | 0.197 |
| Rwork | 0.194 |
| R-free | 0.25100 |
| Structure solution method | MAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.390 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.230 | 2.230 |
| Number of reflections | 34628 | |
| <I/σ(I)> | 1.64 | |
| Completeness [%] | 83.8 | 45.7 |
| Redundancy | 3.1 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 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 |
