6N4W
Tetragonal thermolysin (with 50% xylose) cryocooled in a nitrogen gas stream to 100 K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | OXFORD DIFFRACTION NOVA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-10-18 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 96.739, 96.739, 106.425 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.590 - 1.400 |
| R-factor | 0.1385 |
| Rwork | 0.138 |
| R-free | 0.15690 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.899 |
| Data reduction software | CrysalisPro (1.14_3260) |
| Data scaling software | CrysalisPro |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.590 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.079 | 2.620 |
| Rmeas | 0.083 | 2.790 |
| Rpim | 0.023 | 0.950 |
| Number of reflections | 99213 | 9652 |
| <I/σ(I)> | 22.9 | 0.79 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 11.8 | 8.2 |
| CC(1/2) | 0.999 | 0.298 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 295 | Protein drop: 75 mg/mL protein in 45% DMSO/0.5 M ZnCl2, Well solution: 1 M Ammonium sulfate |
