6D5O
Hexagonal thermolysin (295 K) in the presence of 50% DMF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | Agilent SuperNova |
| Temperature [K] | 295 |
| Detector technology | CCD |
| Collection date | 2016-07-23 |
| Detector | OXFORD ONYX CCD |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 93.931, 93.931, 131.656 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 13.967 - 2.000 |
| R-factor | 0.154942231798 |
| Rwork | 0.153 |
| R-free | 0.19330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.489 |
| Data scaling software | SCALA |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 13.970 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.154 | |
| Number of reflections | 23548 | |
| <I/σ(I)> | 8.5 | 2.3 |
| Completeness [%] | 99.0 | |
| Redundancy | 6.2 | |
| CC(1/2) | 0.993 | 0.760 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 295 | Protein: 100 mg/mL in 45% DMSO Well: 2 M AmSO4 |
