5MNX
Neutron structure of cationic trypsin in complex with 2-aminopyridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | FRM II BEAMLINE BIODIFF |
| Synchrotron site | FRM II |
| Beamline | BIODIFF |
| Temperature [K] | 295 |
| Detector technology | IMAGE PLATE |
| Collection date | 2015-07-25 |
| Detector | MAATEL BIODIFF |
| Wavelength(s) | 2.675 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.096, 58.701, 67.631 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 22.166 - 1.420 |
| R-factor | 0.1676 |
| Rwork | 0.166 |
| R-free | 0.20560 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i8h |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.980 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((dev_2429)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.450 |
| High resolution limit [Å] | 1.420 | 1.420 |
| Rmerge | 0.094 | 0.414 |
| Number of reflections | 38142 | |
| <I/σ(I)> | 8.493 | 2.051 |
| Completeness [%] | 90.7 | 69.9 |
| Redundancy | 2.6 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277 | 0.2 M ammonium sulfate, 0.1 M Hepes pH 7.5, 16% (w/v) PEG 8000 |
