6KUD
Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 3)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-07-30 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 122.190, 69.910, 73.260 |
Unit cell angles | 90.00, 125.71, 90.00 |
Refinement procedure
Resolution | 29.190 - 2.900 |
R-factor | 0.1876 |
Rwork | 0.184 |
R-free | 0.25040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.719 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.190 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.110 | 0.960 |
Number of reflections | 11027 | 1033 |
<I/σ(I)> | 12.15 | 1.7 |
Completeness [%] | 97.4 | |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M Lithium citrate tribasic tetrahydrate, 20% w/v Polyethylene glycol 3350 |