7BSA
Bovine Pancreatic Trypsin with 5-Chlorotryptamine (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) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.381, 58.572, 66.661 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.000 - 1.220 |
R-factor | 0.1497 |
Rwork | 0.149 |
R-free | 0.16720 |
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] | 44.000 | 44.000 | 1.190 |
High resolution limit [Å] | 1.120 | 3.350 | 1.120 |
Rmerge | 0.086 | 0.030 | 0.937 |
Rmeas | 0.093 | 0.032 | 1.051 |
Total number of observations | 1059617 | ||
Number of reflections | 146660 | 5912 | 16669 |
<I/σ(I)> | 15.33 | 57.37 | 1.51 |
Completeness [%] | 92.6 | 100 | 65.1 |
Redundancy | 7.225 | 7.745 | 4.991 |
CC(1/2) | 0.999 | 0.999 | 0.531 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350 |