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 |