1O33
Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 2001-11-15 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.780, 63.380, 69.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.460 |
R-factor | 0.181 |
Rwork | 0.179 |
R-free | 0.19400 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.016 |
RMSD bond angle | 3.500 |
Data reduction software | bioteX (1.2) |
Data scaling software | bioteX |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.960 | 1.530 |
High resolution limit [Å] | 1.460 | 1.460 |
Rmerge | 0.069 | 0.379 |
Number of reflections | 39460 | |
<I/σ(I)> | 16.6 | 0.75 |
Completeness [%] | 79.5 | |
Redundancy | 2.07 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (7.24). vapor diffusion at 298 K, pH 8.10 |