7WBA
Crystal structure of Bovine Pancreatic Trypsin in complex with Tryptamine 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 | 2021-06-22 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.610, 58.140, 67.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.010 - 1.450 |
R-factor | 0.13665 |
Rwork | 0.135 |
R-free | 0.17347 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s0r |
RMSD bond length | 0.016 |
RMSD bond angle | 1.817 |
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 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmeas | 0.145 | 1.331 |
Number of reflections | 37261 | 6055 |
<I/σ(I)> | 9.22 | 2.14 |
Completeness [%] | 99.2 | 96.4 |
Redundancy | 3.78 | 3.81 |
CC(1/2) | 0.992 | 0.501 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 100mM Tris-HCl, 30% (w/v) PEG 3350 |