1GI2
A NOVEL SERINE PROTEASE INHIBITION MOTIF INVOLVING A MULTI-CENTERED SHORT HYDROGEN BONDING NETWORK AT THE ACTIVE SITE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1999-07-25 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.870, 58.700, 67.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.380 |
R-factor | 0.185 |
Rwork | 0.184 |
R-free | 0.20500 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.018 |
RMSD bond angle | 3.900 |
Data reduction software | bioteX |
Data scaling software | bioteX |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.430 | 1.440 |
High resolution limit [Å] | 1.320 | 1.380 |
Rmerge | 0.088 | 0.275 |
Number of reflections | 36102 | |
<I/σ(I)> | 7.9 | |
Completeness [%] | 69.7 | 34.1 |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (8.1). vapor diffusion at 298 K, pH 8.10 |