5I8R
aSMase with zinc
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-14 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1.282 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 191.020, 230.870, 252.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.128 - 3.646 |
| R-factor | 0.2484 |
| Rwork | 0.248 |
| R-free | 0.25350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5i81 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 0.931 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.7) |
| Refinement software | PHENIX ((dev_2229: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 45.000 | 45.000 | 3.740 |
| High resolution limit [Å] | 3.646 | 16.310 | 3.650 |
| Rmerge | 0.229 | 0.032 | 5.349 |
| Number of reflections | 118927 | ||
| <I/σ(I)> | 7.44 | 45.78 | 0.34 |
| Completeness [%] | 98.9 | 94.6 | 86.3 |
| Redundancy | 6.9 | ||
| CC(1/2) | 0.997 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 1.5 M ammonium sulfate, 0.1 M sodium acetate pH 5.0-5.5, 12% glycerol |
