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 |