1H48
The structure of 2C-Methyl-D-erythritol 2,4-cyclodiphosphate synthase in complex with CMP and product
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Collection date | 2002-05-15 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 198.122, 150.287, 57.559 |
| Unit cell angles | 90.00, 106.52, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.204 |
| Rwork | 0.202 |
| R-free | 0.23600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gx1 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.333 |
| 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 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.054 | 0.610 |
| Number of reflections | 73132 | |
| <I/σ(I)> | 18.2 | 1.6 |
| Completeness [%] | 98.6 | 86.3 |
| Redundancy | 3.1 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 10-20% PEG 2000 MONOETHYL ETHER, 0.1M AMMONIUM SULPHATE, 0.1M SODIUM ACETATE, pH 5.60 |
