2CIO
The high resolution x-ray structure of papain complexed with fragments of the Trypanosoma brucei cysteine protease inhibitor ICP.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-08 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.323, 46.118, 95.697 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 95.700 - 1.500 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 9pap |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.416 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 95.700 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.100 | 0.630 |
| Number of reflections | 60928 | |
| <I/σ(I)> | 21.4 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.6 | 13.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 50% ETHANOL, 0.01M NA ACETATE, pH 7.50 |
