7BRW
Bovine Pancreatic Trypsin with 5-chlorotryptamine (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 | 55.220, 58.920, 67.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.460 - 1.600 |
R-factor | 0.1741 |
Rwork | 0.172 |
R-free | 0.21440 |
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] | 44.460 | 44.460 | 1.590 |
High resolution limit [Å] | 1.500 | 4.500 | 1.500 |
Rmerge | 0.289 | 0.167 | 3.026 |
Rmeas | 0.320 | 0.184 | 3.375 |
Total number of observations | 184493 | ||
Number of reflections | 34590 | 1366 | 5388 |
<I/σ(I)> | 4.17 | 11.01 | 0.58 |
Completeness [%] | 95.7 | 91.9 | 94.7 |
Redundancy | 5.334 | 5.152 | 5.207 |
CC(1/2) | 0.967 | 0.960 | 0.168 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | PEG 3350 |