6KUB
Crystal structure of Plasmodium falciparum histo-aspartic protease (HAP) zymogen (Form 1)
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 | 2015-05-05 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.900, 69.300, 73.400 |
| Unit cell angles | 90.00, 126.10, 90.00 |
Refinement procedure
| Resolution | 35.490 - 2.000 |
| R-factor | 0.1859 |
| Rwork | 0.183 |
| R-free | 0.23650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3qvc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.607 |
| 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] | 35.490 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 1.102 |
| Number of reflections | 33708 | 4599 |
| <I/σ(I)> | 10.9 | |
| Completeness [%] | 99.2 | 99.7 |
| Redundancy | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 295 | 0.2M Ammonium citrate tribasic pH 7.0, 0.1M Imidazole pH 7.0, 20% w/v Polyethylene glycol monomethyl ether 2000 |
