3GHZ
2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Salmonella typhimurium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 143.974, 143.974, 143.974 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.030 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gx1 |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.644 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.070 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.073 | 0.801 |
| Number of reflections | 32255 | |
| <I/σ(I)> | 51.494 | 2.05 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 14.3 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 0.2 M Magnesium acetate,20% PEG-3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
