1GHY
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 | AREA DETECTOR |
Collection date | 1996 |
Detector | SIEMENS |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 71.890, 72.220, 72.740 |
Unit cell angles | 90.00, 100.97, 90.00 |
Refinement procedure
Resolution | 7.000 - 1.850 |
R-factor | 0.195 * |
Rwork | 0.195 |
R-free | 0.22000 |
RMSD bond length | 0.018 |
RMSD bond angle | 3.700 |
Data reduction software | SADIE |
Data scaling software | SADIE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.480 | 1.930 |
High resolution limit [Å] | 1.800 | 1.850 |
Rmerge | 0.075 * | |
Total number of observations | 57645 * | |
Number of reflections | 23058 * | |
<I/σ(I)> | 10.1 | |
Completeness [%] | 67.3 | 40.6 |
Redundancy | 2.50 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.2 | 298 | PEG 4000, NaCl, pH 8.2, vapor diffusion, temperature 298K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 10 (mg/ml) | |
2 | 1 | reservoir | HEPES | 0.10 (M) | pH7.5 or 8.2 |
3 | 1 | reservoir | 0.30 (M) | ||
4 | 1 | reservoir | PEG5000 MME | 22 (%(v/v)) |