5MNZ
Neutron structure of cationic trypsin in its apo form
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 | 2015-05-18 |
| Detector | MAATEL BIODIFF |
| Wavelength(s) | 2.670, 2.670, 2.675 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.986, 58.544, 67.541 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.321 - 1.450 |
| R-factor | 0.1705 |
| Rwork | 0.169 |
| R-free | 0.20050 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4i8h |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.857 |
| 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] | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.126 | 0.474 |
| Number of reflections | 35542 | |
| <I/σ(I)> | 6.858 | 2.1 |
| Completeness [%] | 90.2 | 72.8 |
| Redundancy | 3 | 2.7 |
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 |
