3IEQ
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-01 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.270, 67.700, 60.340 |
| Unit cell angles | 90.00, 96.38, 90.00 |
Refinement procedure
| Resolution | 19.420 - 2.100 |
| R-factor | 0.175 |
| Rwork | 0.172 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f0e |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.086 |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.420 | 2.150 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.037 | 0.158 |
| Number of reflections | 25206 | 1783 |
| <I/σ(I)> | 20.98 | 5.9 |
| Completeness [%] | 91.5 | 87.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 289 | JCSG+ condition A5, 20% PEG 3350, 0.2 M Magnesium formate, 34.4 mg/mL protein, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
