5UU7
Tetragonal thermolysin (295 K) in the presence of 50% mpd
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 295 |
| Detector technology | CCD |
| Collection date | 2015-11-01 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 98.026, 98.026, 107.522 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.759 - 1.600 |
| R-factor | 0.144862439573 |
| Rwork | 0.144 |
| R-free | 0.15649 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.914 |
| Data reduction software | CrysalisPro |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.800 | |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 131139 | |
| <I/σ(I)> | 14.7 | 1.1 |
| Completeness [%] | 99.4 | 98.4 |
| Redundancy | 4.2 | 2.8 |
| CC(1/2) | 0.999 | 0.536 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Protein: 50 mg/mL in 45% DMSO, 0.5 M ZnCl2 Well: ~2 M AmSO4 |
