1H3M
Structure of 4-diphosphocytidyl-2C-methyl-D-erythritol synthetase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 73.604, 73.604, 175.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.400 |
| R-factor | 0.241 |
| Rwork | 0.237 |
| R-free | 0.33300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ini |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.670 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.031 * | 0.271 * |
| Total number of observations | 81222 * | |
| Number of reflections | 19619 | |
| <I/σ(I)> | 37 | 3.1 |
| Completeness [%] | 99.5 | 94.7 * |
| Redundancy | 4.1 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 7.7 * | 293 * | 0.2M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE, PH 5.6, 25% PEG 4000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 100 (mM) | pH7.7 |
| 4 | 1 | reservoir | sodium acetate | 0.1 (M) | pH5.6 |
| 5 | 1 | reservoir | PEG4000 | 25 (%) | |
| 6 | 1 | reservoir | ammonium sulfate | 0.2 (M) |
