7BS3
Bovine Pancreatic Trypsin with 4-Bromo-benzamidine (Cryo)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-05-10 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 0.918 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.242, 56.897, 66.667 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.280 - 1.280 |
R-factor | 0.1757 |
Rwork | 0.175 |
R-free | 0.19090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s0q |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.8.3) |
Refinement software | PHENIX (1.17) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.280 | 43.280 | 1.360 |
High resolution limit [Å] | 1.280 | 3.830 | 1.280 |
Rmerge | 0.119 | 0.034 | 1.431 |
Rmeas | 0.127 | 0.037 | 1.539 |
Total number of observations | 778830 | ||
Number of reflections | 102003 | 3815 | 16439 |
<I/σ(I)> | 12.06 | 50.38 | 1.37 |
Completeness [%] | 99.9 | 99.9 | 99.5 |
Redundancy | 7.635 | 7.847 | 7.42 |
CC(1/2) | 0.999 | 0.999 | 0.520 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350 |