1INI
CRYSTAL STRUCTURE OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHETASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS, COMPLEXED WITH CDP-ME AND MG2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2001-01-13 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.773 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 129.990, 46.764, 38.387 |
| Unit cell angles | 90.00, 92.64, 90.00 |
Refinement procedure
| Resolution | 44.000 - 1.820 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.27300 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1i52 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 90.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.810 |
| Rmerge | 0.026 | |
| Number of reflections | 20268 | |
| <I/σ(I)> | 26.4 | 2.7 |
| Completeness [%] | 98.6 | 98.6 |
| Redundancy | 2.8 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 279 | PEG 8000, CALCIUM ACETATE, MAGNESIUM CHLORIDE, DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
