8SJ5
Walnut Tree Phytocystatin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER X8 PROTEUM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-12 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.541840 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 106.767, 79.346, 63.914 |
| Unit cell angles | 90.00, 108.11, 90.00 |
Refinement procedure
| Resolution | 46.740 - 3.100 |
| R-factor | 0.2883 |
| Rwork | 0.288 |
| R-free | 0.29860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.728 |
| Data reduction software | XDS (20190806) |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.740 | 3.215 |
| High resolution limit [Å] | 3.100 | 3.104 |
| Number of reflections | 9197 | 904 |
| <I/σ(I)> | 7.2 | |
| Completeness [%] | 98.5 | 96.99 |
| Redundancy | 2 | |
| CC(1/2) | 0.996 | 0.723 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.4 | 293 | 38 % v/v PEG 300, 0.2 M Na2HPO4, 0.1 M citric acid and pH 4.4 |
