2DDR
Crystal structure of sphingomyelinase from Bacillus cereus with calcium ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-11-04 |
| Detector | RIGAKU RAXIS V |
| Wavelength(s) | 1.0200 |
| Spacegroup name | P 1 |
| Unit cell lengths | 65.430, 72.691, 77.859 |
| Unit cell angles | 112.19, 89.97, 116.76 |
Refinement procedure
| Resolution | 19.710 - 1.400 |
| R-factor | 0.213 |
| Rwork | 0.213 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 213905 | |
| Completeness [%] | 93.5 | 92.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.5 | 283 | 18% (w/v) PEG 8000, 0.2M calcium chloride, 0.1M MES, pH 6.5, VAPOR DIFFUSION, temperature 283K |
