8GT0
Structure of falcipain and human Stefin A complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-12-09 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.100, 118.063, 119.340 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.990 - 3.280 |
R-factor | 0.2794 |
Rwork | 0.278 |
R-free | 0.29930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 1.000 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.990 | 3.400 |
High resolution limit [Å] | 3.280 | 3.280 |
Rmerge | 0.428 | |
Number of reflections | 14644 | 1449 |
<I/σ(I)> | 6.1 | |
Completeness [%] | 99.9 | |
Redundancy | 8.6 | |
CC(1/2) | 0.568 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 290 | 0.05 M cadmium chloride, 0.1 M Na HEPES pH 7.5, 1.0 M sodium acetate and 5 mM MgSO4 |