1INJ
CRYSTAL STRUCTURE OF THE APO FORM OF 4-DIPHOSPHOCYTIDYL-2-C-METHYLERYTHRITOL (CDP-ME) SYNTHETASE (YGBP) INVOLVED IN MEVALONATE INDEPENDENT ISOPRENOID BIOSYNTHESIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-06-06 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.08 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 130.297, 47.328, 38.146 |
| Unit cell angles | 90.00, 94.18, 90.00 |
Refinement procedure
| Resolution | 33.930 - 1.550 |
| R-factor | 0.245 |
| Rwork | 0.245 |
| R-free | 0.26500 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1i52 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.200 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.026 * | 0.268 |
| Number of reflections | 30652 | |
| <I/σ(I)> | 32.7 | |
| Completeness [%] | 90.3 | 51.8 |
| Redundancy | 3.2 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | PEG 8000, CALCIUM ACETATE, MAGNESIUM CHLORIDE, DTT, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 279K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 35 (mg/ml) | |
| 2 | 1 | reservoir | PEG8000 | 10 (%(w/v)) | |
| 3 | 1 | reservoir | calcium acetate | 0.2 (M) | |
| 4 | 1 | reservoir | dithiothreitol | 2 (mM) | |
| 5 | 1 | reservoir | PIPES | 0.1 (M) | |
| 6 | 1 | reservoir | ethylene glycol | 19 (%(v/v)) |
