1IV4
Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form Substrate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44B2 |
| Synchrotron site | SPring-8 |
| Beamline | BL44B2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-10-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.7 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.364, 106.364, 149.190 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.550 |
| Rwork | 0.206 |
| R-free | 0.25100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.024 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.610 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.071 | 0.175 |
| Total number of observations | 940054 * | |
| Number of reflections | 118106 | |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 95.2 | 76 |
| Redundancy | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 5.5 * | 293 * | PEG, pH 6.5, EVAPORATION, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | CDP-ME2P | 30 (mM) | |
| 2 | 1 | drop | protein | 5.2 (mg/ml) | |
| 3 | 1 | drop | MES | 20 (mM) | pH5.5 |
| 4 | 1 | drop | 150 (mM) | ||
| 5 | 1 | drop | dithiothreitol | 1 (mM) | |
| 6 | 1 | reservoir | MES | 50 (mM) | pH6.5 |
| 7 | 1 | reservoir | magnesium acetate | 100 (mM) | |
| 8 | 1 | reservoir | PEG8000 | 10 (%) |
