7BS7
Bovine Pancreatic Trypsin with aniline (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 | 54.707, 58.569, 66.832 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.420 - 1.040 |
R-factor | 0.1589 |
Rwork | 0.158 |
R-free | 0.16900 |
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] | 33.420 | 33.420 | 1.110 |
High resolution limit [Å] | 1.040 | 3.110 | 1.040 |
Rmerge | 0.059 | 0.048 | 0.378 |
Rmeas | 0.063 | 0.051 | 0.501 |
Total number of observations | 1101914 | ||
Number of reflections | 173623 | 7391 | 12078 |
<I/σ(I)> | 18.08 | 39.75 | 1.9 |
Completeness [%] | 87.6 | 99.3 | 37.7 |
Redundancy | 6.347 | 7.675 | 2.303 |
CC(1/2) | 0.999 | 0.998 | 0.758 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350 |