3S5K
Crystal structures of falcilysin, a M16 metalloprotease from the malaria parasite Plasmodium falciparum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-10 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.780, 105.290, 114.760 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.830 - 3.200 |
R-factor | 0.216 |
Rwork | 0.210 |
R-free | 0.31600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2fge |
RMSD bond length | 0.010 |
RMSD bond angle | 1.290 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.400 | 3.310 |
High resolution limit [Å] | 3.200 | 3.200 |
Rmerge | 0.260 | 0.580 |
Number of reflections | 36165 | |
<I/σ(I)> | 3.3 | 1.1 |
Completeness [%] | 99.9 | 99.9 |
Redundancy | 6.7 | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 298 | 20% PEG6000, 0.1M MES, 5 M Zn acetate,0.1% - mercaptoethanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |