3IMA
Complex structure of tarocystatin and papain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13C1 |
Synchrotron site | NSRRC |
Beamline | BL13C1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-03-26 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.97315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 36.060, 99.720, 165.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.890 - 2.030 |
R-factor | 0.182 |
Rwork | 0.182 |
R-free | 0.23300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ppn |
RMSD bond length | 0.012 |
RMSD bond angle | 1.700 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.100 |
High resolution limit [Å] | 2.030 | 2.030 |
Rmerge | 0.100 | 0.410 |
Number of reflections | 39400 | |
<I/σ(I)> | 16.4 | 3.1 |
Completeness [%] | 99.0 | 95.7 |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | 30% PEG MME 2000, 0.1M Sodium Acetate trihydrate pH 4.6, 0.2M Ammonium Sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |