2PRE
Crystal structure of plant cysteine protease Ervatamin-C complexed with irreversible inhibitor E-64 at 2.7 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER AXS MICROSTAR |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-07-27 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.370, 81.460, 131.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.940 - 2.700 |
| R-factor | 0.197 |
| Rwork | 0.197 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2pns |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | AUTOMAR |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.790 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.096 | 0.256 |
| Number of reflections | 12869 | |
| <I/σ(I)> | 4.4 | 1.9 |
| Completeness [%] | 95.1 | 96.9 |
| Redundancy | 3.36 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | Precipitant solution - 0.2M Ammonium Sulphate and 30% PEG 3350, pH 7.5, VAPOR DIFFUSION, temperature 293K |
