3BCN
Crystal structure of a papain-like cysteine protease Ervatamin-A complexed with irreversible inhibitor E-64
Replaces: 2PSCExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-10-10 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 31.168, 105.587, 73.927 |
| Unit cell angles | 90.00, 101.96, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.850 |
| R-factor | 0.2398 |
| Rwork | 0.240 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pns |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | AUTOMAR |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.074 | 0.146 |
| Number of reflections | 13929 | |
| <I/σ(I)> | 5.4 | 3 |
| Completeness [%] | 85.8 | 81.4 |
| Redundancy | 1.97 | 2.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 0.2M Lithium acetate dihydrate, 20%(w/v) PEG 3350, 12% Glycerol, pH 7.5, VAPOR DIFFUSION, temperature 293K |
