1GI5
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 | 2000-06-13 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.550, 62.590, 69.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.600 |
R-factor | 0.2 |
Rwork | 0.200 |
R-free | 0.21600 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.018 |
RMSD bond angle | 3.600 |
Data reduction software | bioteX |
Data scaling software | bioteX |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.170 | 1.690 |
High resolution limit [Å] | 1.380 | 1.460 |
Rmerge | 0.101 | 0.261 |
Number of reflections | 32533 | |
<I/σ(I)> | 6 | |
Completeness [%] | 56.8 | 36.8 |
Redundancy | 2.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.1 | 298 | magnesium sulfate soak at target pH (10.3). vapor diffusion at 298 K, pH 8.10 |