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 |
