5IWY
Crystal structure of 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Bacillus subtitis complexed with CMP and Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 57.057, 89.460, 87.986 |
| Unit cell angles | 90.00, 103.80, 90.00 |
Refinement procedure
| Resolution | 29.212 - 1.990 |
| R-factor | 0.17589 |
| Rwork | 0.174 |
| R-free | 0.21940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t0a |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.652 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.060 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.084 | 0.374 |
| Number of reflections | 57544 | |
| <I/σ(I)> | 14.3 | 4.8 |
| Completeness [%] | 98.2 | 99.8 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 25mM Tris-HCl PH8.0, 0.1M NaCl, 0.1M Magnesium formate dihydrate, 12-15% w/v PEG 3350, 5mM CMP |
