5JG8
Crystal structure of human acid sphingomyelinase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-06-26 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.63 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 69.531, 143.658, 193.620 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.761 - 2.800 |
| R-factor | 0.2318 |
| Rwork | 0.230 |
| R-free | 0.27930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ebe |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.929 |
| Data reduction software | HKL-2000 |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.440 | 29.440 | 2.900 |
| High resolution limit [Å] | 2.800 | 10.840 | 2.800 |
| Rmerge | 0.207 | 0.044 | 2.209 |
| Rmeas | 0.236 | 0.052 | 2.604 |
| Rpim | 0.111 | 0.026 | 1.343 |
| Total number of observations | 177605 | 2970 | 9578 |
| Number of reflections | 45859 | ||
| <I/σ(I)> | 5 | 18.3 | 0.6 |
| Completeness [%] | 94.1 | 86.6 | 73.3 |
| Redundancy | 3.9 | 3.6 | 2.7 |
| CC(1/2) | 0.989 | 0.995 | 0.256 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG8000, sodium potassium tartrate, sodium acetate, sodium cacodylate, MES, pH 6 |
