2GHU
Crystal structure of falcipain-2 from Plasmodium falciparum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-03-20 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.8045 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 145.830, 168.280, 178.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.100 |
| Rwork | 0.231 |
| R-free | 0.27400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | MIXED MODEL DERIVED FROM PDB ENTRY 1S4V |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.030 | 3.200 |
| High resolution limit [Å] | 3.040 | 3.040 |
| Rmerge | 0.152 | 0.764 |
| Number of reflections | 40840 | |
| <I/σ(I)> | 11.5 | 2.7 |
| Completeness [%] | 95.8 | 71.9 |
| Redundancy | 6.4 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.4-0.8 M ammonium sulfate, 100 mM sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
