4CG0
Savinase crystal structures for combined single crystal diffraction and powder diffraction analysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-07 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 53.040, 57.550, 71.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.800 - 1.360 |
| R-factor | 0.11133 |
| Rwork | 0.109 |
| R-free | 0.15413 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1svn |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.731 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.800 | 1.400 |
| High resolution limit [Å] | 1.360 | 1.360 |
| Rmerge | 0.070 | 0.670 |
| Number of reflections | 46289 | |
| <I/σ(I)> | 14.9 | 2.2 |
| Completeness [%] | 97.3 | 78.3 |
| Redundancy | 6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | CRYSTALS FROM INDUSTRIAL PRODUCTION SUSPENSION |
