5UU9
Tetragonal thermolysin cryocooled to 100 K with 40% xylose as cryoprotectant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION ENHANCE ULTRA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-28 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 96.819, 96.819, 106.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.988 - 1.600 |
| R-factor | 0.159721636871 |
| Rwork | 0.159 |
| R-free | 0.17772 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.967 |
| 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] | 20.990 | |
| High resolution limit [Å] | 1.599 | 1.600 |
| Number of reflections | 125129 | |
| <I/σ(I)> | 14.4 | |
| Completeness [%] | 99.9 | 98.9 |
| Redundancy | 4.2 | 2.7 |
| CC(1/2) | 0.999 | 0.671 |
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 |
