2DDS
Crystal structure of sphingomyelinase from Bacillus cereus with cobalt ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-08-14 |
| Detector | RIGAKU RAXIS VII |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.090, 72.670, 78.060 |
| Unit cell angles | 112.00, 90.05, 116.58 |
Refinement procedure
| Resolution | 19.670 - 1.800 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.800 | 1.830 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 103230 | |
| Completeness [%] | 91.1 | 83.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 283 | 18% (w/v) PEG 8000, 0.2M cobalt chloride, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 283K |
