3BPM
Crystal Structure of Falcipain-3 with Its inhibitor, Leupeptin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2007-01-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 154.570, 154.570, 129.011 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 92.850 - 2.500 |
| R-factor | 0.19138 |
| Rwork | 0.190 |
| R-free | 0.22423 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bpf |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.549 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 92.850 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.091 | 0.507 |
| Number of reflections | 20625 | |
| <I/σ(I)> | 27 | 7.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 15.9 | 16.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.015 M Magnesium Acetate, 50 mM Sodium cacodylate, 1.3 M Ammonium sulfate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
