6D33
Crystal structure of BH1352 2-deoxyribose-5-phosphate from Bacillus halodurans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2016-09-09 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 240.908, 55.523, 177.706 |
| Unit cell angles | 90.00, 128.02, 90.00 |
Refinement procedure
| Resolution | 30.021 - 2.502 |
| R-factor | 0.2065 |
| Rwork | 0.205 |
| R-free | 0.25050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ngj |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.635 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_3092) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.049 | 0.654 |
| Rpim | 0.027 | 0.392 |
| Number of reflections | 63816 | 3103 |
| <I/σ(I)> | 34.23 | 2.56 |
| Completeness [%] | 98.9 | 97.5 |
| Redundancy | 3.9 | 3.5 |
| CC(1/2) | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M Tris pH 8.5, 0.2 M MgCl2, 25% (w/v) PEG 3350, 10 mM acetaldehyde |
