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 |