3ORS
Crystal Structure of N5-Carboxyaminoimidazole Ribonucleotide Mutase from Staphylococcus aureus
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 | 2008-10-13 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.302, 78.207, 93.039 |
| Unit cell angles | 90.00, 113.94, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.450 |
| R-factor | 0.17832 |
| Rwork | 0.177 |
| R-free | 0.20255 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xmp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.164 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.540 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 187255 | |
| <I/σ(I)> | 2.7 | |
| Completeness [%] | 99.5 | 96.9 |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.1 M sodium acetate trihydrate pH 4.5, 2 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
