7BRY
Bovine Pancreatic Trypsin with 6-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 | 55.330, 57.210, 67.420 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.620 - 1.650 |
R-factor | 0.1609 |
Rwork | 0.159 |
R-free | 0.19520 |
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] | 43.620 | 43.620 | 1.590 |
High resolution limit [Å] | 1.500 | 4.500 | 1.500 |
Rmerge | 0.182 | 0.057 | 2.835 |
Rmeas | 0.196 | 0.061 | 3.073 |
Total number of observations | 220181 | ||
Number of reflections | 33584 | 1280 | 5366 |
<I/σ(I)> | 7.27 | 26.82 | 0.63 |
Completeness [%] | 95.9 | 88.6 | 97.2 |
Redundancy | 6.556 | 6.593 | 6.35 |
CC(1/2) | 0.993 | 0.993 | 0.130 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350 |