3IM9
Crystal structure of MCAT from Staphylococcus aureus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 4A |
| Synchrotron site | PAL/PLS |
| Beamline | 4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.157, 87.914, 43.237 |
| Unit cell angles | 90.00, 104.00, 90.00 |
Refinement procedure
| Resolution | 30.350 - 1.460 |
| R-factor | 0.159 |
| Rwork | 0.157 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mla |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.208 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.510 |
| High resolution limit [Å] | 1.460 | 1.460 |
| Rmerge | 0.034 | 0.189 |
| Total number of observations | 848806 | |
| Number of reflections | 52963 | |
| <I/σ(I)> | 31.1 | 2.7 |
| Completeness [%] | 90.4 | 76.2 |
| Redundancy | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 295 | 21-23% PEG 3350, 0.5-0.52M calcium acetate, pH 7.3, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
