3QVC
Crystal structure of histo-aspartic protease (HAP) zymogen from Plasmodium falciparum
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-07-31 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 121.490, 68.430, 72.770 |
Unit cell angles | 90.00, 125.84, 90.00 |
Refinement procedure
Resolution | 36.370 - 2.100 |
R-factor | 0.1863 |
Rwork | 0.184 |
R-free | 0.23936 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 2.275 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0104) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.102 | 0.146 |
Number of reflections | 37803 | |
<I/σ(I)> | 11.9 | 1.2 |
Completeness [%] | 98.4 | 97.1 |
Redundancy | 5 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.1 | 293 | 20% (w/v) PEG 3350, 0.2M Tri-potassium citrate, pH 8.1, VAPOR DIFFUSION, SITTING DROP, temperature 293K |