5I81
aSMase with zinc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2014-10-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.28304, 1.07213 |
| Spacegroup name | P 64 2 2 |
| Unit cell lengths | 132.629, 132.629, 189.565 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.809 - 2.250 |
| R-factor | 0.1847 |
| Rwork | 0.184 |
| R-free | 0.20470 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.171 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX ((dev_2229: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 4.850 | 2.250 |
| Rmerge | 0.092 | 0.053 | 0.732 |
| Rmeas | 0.096 | ||
| Rpim | 0.029 | ||
| Total number of observations | 909267 | ||
| Number of reflections | 88092 | ||
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 99.5 | 99.9 | 94.9 |
| Redundancy | 10.3 | 11.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 1.5 M ammonium sulfate, 0.1 M sodium acetate pH 5.0-5.5, 12% glycerol |
