5XW9
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRY, at pH 7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | RRCAT INDUS-2 BEAMLINE PX-BL21 |
Synchrotron site | RRCAT INDUS-2 |
Beamline | PX-BL21 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-09-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 82.665, 82.665, 134.674 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 63.214 - 2.000 |
R-factor | 0.166 |
Rwork | 0.165 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4doq |
RMSD bond length | 0.007 |
RMSD bond angle | 0.795 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 71.500 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.103 | 0.738 |
Number of reflections | 19062 | 1872 |
<I/σ(I)> | 18.2 | 3.1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 16.4 | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | 0.1M HEPES pH 7.5, 70% MPD |