5MNQ
Cationic trypsin in complex with a derivative of N-amidinopiperidine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.893, 64.076, 69.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.352 - 1.337 |
| R-factor | 0.139 |
| Rwork | 0.137 |
| R-free | 0.17110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i8h |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.198 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2429)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.089 | 1.420 |
| High resolution limit [Å] | 1.337 | 1.337 |
| Rmerge | 0.054 | 0.494 |
| Number of reflections | 60257 | |
| <I/σ(I)> | 14.16 | 2.32 |
| Completeness [%] | 98.7 | 96.9 |
| Redundancy | 4.192 | 4.088 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 290 | 2.0 M ammonium sulfate, 0.1 M Hepes pH 7.5 |
