3BPF
Crystal Structure of Falcipain-2 with Its inhibitor, E64
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 | 2006-03-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 143.778, 167.810, 177.758 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 66.670 - 2.900 |
| R-factor | 0.27794 |
| Rwork | 0.275 |
| R-free | 0.32542 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yvb |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.049 |
| Data reduction software | MOSFLM |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 66.700 | 2.990 |
| High resolution limit [Å] | 2.830 | 2.830 |
| Rmerge | 0.653 | |
| Number of reflections | 45440 | |
| <I/σ(I)> | 10.04 | 1.22 |
| Completeness [%] | 99.3 | 96.5 |
| Redundancy | 7.3 | 7.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 100 mM Sodium Citrate, 10% PEG 3350, 100 mM Magnesium Formate, 5% Glycerol, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
