3FNT
Crystal structure of pepstatin A bound histo-aspartic protease (HAP) from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-04-11 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 70.700, 70.700, 158.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.300 |
| R-factor | 0.288 |
| Rwork | 0.285 |
| R-free | 0.35300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1sme |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.253 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MrBUMP |
| Refinement software | REFMAC (5.4.0057) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.400 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.200 | 0.885 |
| Number of reflections | 7350 | |
| <I/σ(I)> | 2.2 | |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 6.6 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 15% PEG 20000, 0.1M Tris-HCl pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
