7BRX
Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B2 |
Synchrotron site | SPring-8 |
Beamline | BL26B2 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2019-05-09 |
Detector | RAYONIX MX225-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.900, 58.600, 67.440 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.060 - 1.350 |
R-factor | 0.1631 |
Rwork | 0.162 |
R-free | 0.18080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s0q |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.7.16) |
Refinement software | PHENIX (1.17) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.060 | 40.060 | 1.430 |
High resolution limit [Å] | 1.350 | 4.050 | 1.350 |
Rmerge | 0.189 | 0.041 | 5.602 |
Rmeas | 0.197 | 0.043 | 5.866 |
Total number of observations | 637860 | ||
Number of reflections | 48183 | 1926 | 7575 |
<I/σ(I)> | 21.12 | 57.73 | 3.32 |
Completeness [%] | 99.4 | 98.4 | 99.8 |
Redundancy | 13.238 | 12.851 | 12.438 |
CC(1/2) | 0.999 | 0.998 | 0.198 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350 |