5UVG
Crystal structure of the human neutral sphingomyelinase 2 (nSMase2) catalytic domain with insertion deleted and calcium bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 193.15 |
| Detector technology | CCD |
| Collection date | 2013-10-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.610, 91.050, 50.030 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.850 - 1.849 |
| R-factor | 0.1642 |
| Rwork | 0.163 |
| R-free | 0.19690 |
| Structure solution method | SAD |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | SHARP |
| Refinement software | BUSTER |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.850 | 1.855 |
| High resolution limit [Å] | 1.849 | 1.849 |
| Rmerge | 0.076 | 0.882 |
| Rmeas | 0.095 | 0.956 |
| Rpim | 0.037 | 0.365 |
| Number of reflections | 29448 | |
| <I/σ(I)> | 13.8 | 2.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 289.15 | PEG 400, calcium chloride, glycerol, HEPES |
