8WXW
Falcilysin in complex with hemoglobin alpha chain peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-03-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 94.120, 105.720, 125.360 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.090 - 1.860 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.20960 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.262 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.21.1-5286-0000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.000 | 1.931 |
High resolution limit [Å] | 1.600 | 1.864 |
Rmerge | 0.089 | |
Rpim | 0.025 | |
Number of reflections | 104687 | 10280 |
<I/σ(I)> | 19.1 | |
Completeness [%] | 99.9 | 99.17 |
Redundancy | 13.7 | 13.7 |
CC(1/2) | 0.999 | 0.771 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 4% w/v PEG 1500, 20% v/v glycerol |