5DDV
Crystal structure of IspD from Bacillus subtilis at 2.30 Angstroms resolution, crystal form II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-11 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 64.470, 85.732, 45.824 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.530 - 2.300 |
| R-factor | 0.2103 |
| Rwork | 0.208 |
| R-free | 0.25733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2yc3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.703 |
| 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] | 60.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.057 | 0.316 |
| Number of reflections | 11687 | |
| <I/σ(I)> | 23 | 3.9 |
| Completeness [%] | 98.6 | 99.4 |
| Redundancy | 4.5 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.2M Magnesium chloride hexahydrate, 0.1M HEPES pH7.5, 25% (v/v) Polyethylene glycol 3350 |
