5XW8
Crystal Structure of Porcine pancreatic trypsin with tripeptide inhibitor, PRN, 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 | 82.881, 82.881, 135.643 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.440 - 2.002 |
| R-factor | 0.1506 |
| Rwork | 0.149 |
| R-free | 0.17800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4doq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.779 |
| 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] | 41.500 | 2.060 |
| High resolution limit [Å] | 2.000 | 2.010 |
| Rmerge | 0.134 | 0.460 |
| Number of reflections | 19102 | 1868 |
| <I/σ(I)> | 22.4 | 7.6 |
| Completeness [%] | 99.9 | 98.8 |
| Redundancy | 21.3 | 20.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | 0.1M HEPES pH 7.5, 70% MPD |
