9BKG
Crystal structure of selenomethionine labeled bovine trypsin mutant - S195A solved by Sulphur-SAD at 1.54A wavelength
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-13 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.708, 54.708, 107.174 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 1.570 |
R-factor | 0.1864 |
Rwork | 0.186 |
R-free | 0.20370 |
Structure solution method | SAD |
RMSD bond length | 0.004 |
RMSD bond angle | 0.823 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.600 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmerge | 0.024 | 0.024 |
Number of reflections | 109778 | 72 |
<I/σ(I)> | 71.38 | |
Completeness [%] | 84.7 | |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1M Imidazole, pH 7.0 , 0.3M Ammonium Sulfate, 30% PEG8000 |