5HS2
Crystal structure of IspD complexed with CTP and Mg2+ from Bacillus subtilis at 1.90 Angstroms resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-15 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9778 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 65.450, 49.430, 75.373 |
| Unit cell angles | 90.00, 101.41, 90.00 |
Refinement procedure
| Resolution | 29.600 - 1.900 |
| R-factor | 0.20662 |
| Rwork | 0.204 |
| R-free | 0.25235 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yc3 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.606 |
| 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] | 29.600 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.535 | |
| Number of reflections | 37021 | |
| <I/σ(I)> | 6.6 | 2.3 |
| Completeness [%] | 98.8 | 99 |
| Redundancy | 2.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M Magnesium chloride hexahydrate, 0.1M HEPES, 25% Polyethylene glycol 3350, 10mM CTP, 10mM MgCl2 |
