7WB6
Crystal structure of Bovine Pancreatic Trypsin in complex with 4-Bromobenzamidine at Room Temperature
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 293 |
Detector technology | PIXEL |
Collection date | 2021-06-29 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.570, 58.280, 67.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.070 - 1.480 |
R-factor | 0.14056 |
Rwork | 0.138 |
R-free | 0.18060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s0r |
RMSD bond length | 0.019 |
RMSD bond angle | 1.949 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.570 |
High resolution limit [Å] | 1.480 | 1.480 |
Rmeas | 0.225 | 1.268 |
Number of reflections | 36057 | 5741 |
<I/σ(I)> | 7.52 | |
Completeness [%] | 98.7 | 98.7 |
Redundancy | 4.63 | 4.73 |
CC(1/2) | 0.979 | 0.516 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100mM Tris-HCl, 30% (w/v) PEG 3350 |