3QYD
Crystal structure of a recombinant chimeric trypsin inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 293 |
Detector technology | CCD |
Collection date | 2010-10-08 |
Detector | Bruker Platinum 135 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 92.530, 39.250, 94.280 |
Unit cell angles | 90.00, 118.95, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.970 |
Rwork | 0.210 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3i2x |
RMSD bond length | 0.007 |
RMSD bond angle | 1.670 |
Data reduction software | AUTOMAR |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 30.000 |
High resolution limit [Å] | 2.970 |
Rmerge | 0.118 |
Number of reflections | 11790 |
<I/σ(I)> | 3.6 |
Completeness [%] | 91.5 |
Redundancy | 2.35 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 35% PEG, 0.1M Tris, 5% glycerol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |