1IV2
Structure of 2C-Methyl-D-erythritol-2,4-cyclodiphosphate Synthase (bound form CDP)
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 | 106.097, 106.097, 149.112 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.550 |
Rwork | 0.177 |
R-free | 0.26300 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.026 * |
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 | 0.068 | 0.248 |
Total number of observations | 836026 * | |
Number of reflections | 118031 | |
<I/σ(I)> | 7.9 | |
Completeness [%] | 95.8 | 78.2 |
Redundancy | 7.1 |
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-ME | 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 (%) |