1JN1
Structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Haemophilus influenzae (HI0671)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-03-30 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 112.300, 112.300, 187.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.900 |
| Rwork | 0.198 |
| R-free | 0.29000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | structure from MIR data in P6(3) space group |
| RMSD bond length | 0.018 |
| RMSD bond angle | 2.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.000 * | 3.030 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.053 | 0.294 |
| Total number of observations | 399292 * | |
| Number of reflections | 13670 | |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 100.0 * | 100 |
| Redundancy | 18.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 40% sat. ammonium sulfate, 0.1 MES, 15 mM CoCl2, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | ammonium sulfate | 1.7 (M) | |
| 2 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 3 | 1 | reservoir | 1 (mM) | ||
| 4 | 1 | drop | protein | 15 (mg/ml) |
