1GX1
Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9184,0.9786,0.9788 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 54.202, 114.848, 87.748 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.18 * |
| Rwork | 0.184 |
| R-free | 0.21300 * |
| Structure solution method | MAD |
| RMSD bond length | 0.018 * |
| RMSD bond angle | 1.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.067 * | 0.320 * |
| Total number of observations | 193317 * | |
| Number of reflections | 50289 * | |
| <I/σ(I)> | 12.6 | 1.7 |
| Completeness [%] | 97.4 * | 89.5 * |
| Redundancy | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.7 * | 10-20% PEG 2000 MONOETHYL ETHER, 0.1M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE, pH 4.60 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 6 (mg/ml) | |
| 2 | 1 | drop | 50 (mM) | ||
| 3 | 1 | drop | Tris-HCl | 50 (mM) | pH7.7 |
| 4 | 1 | reservoir | PEG2000 | 10-20 (%) | |
| 5 | 1 | reservoir | ammonium sulfate | 0.1 (M) | |
| 6 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.4-5.0 |
