2UYR
Crystal structure of Bacillus cereus sphingomyelinase mutant :N57A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Collection date | 2006-06-07 |
| Detector | RIGAKU IMAGING PLATE |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.090, 63.927, 101.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.150 - 2.400 |
| R-factor | 0.184 |
| Rwork | 0.182 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ddt |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.631 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CCP4I |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.440 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.150 | 0.330 |
| Number of reflections | 14493 | |
| <I/σ(I)> | 4.9 | |
| Completeness [%] | 98.7 | 96.5 |
| Redundancy | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1 M CALCIUM ACETATE 0.2 M SODIUM CACODYLATE (PH7.5) 18% PEG 8000 |
