1C1S
RECRUITING ZINC TO MEDIATE POTENT, SPECIFIC INHIBITION OF SERINE PROTEASES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 298 |
Detector technology | IMAGE PLATE |
Collection date | 1998-12-16 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 55.350, 55.350, 109.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.500 - 1.630 |
R-factor | 0.185 |
Rwork | 0.185 |
R-free | 0.20600 |
Structure solution method | DIFFERENCE FOURIER PLUS REFINEMENT |
RMSD bond length | 0.020 |
RMSD bond angle | 25.900 * |
Data reduction software | bioteX ((MSC)) |
Data scaling software | bioteX |
Phasing software | X-PLOR |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.600 | 1.700 |
High resolution limit [Å] | 1.330 | 1.630 |
Rmerge | 0.112 | 0.282 |
Total number of observations | 56042 * | |
Number of reflections | 23706 | |
<I/σ(I)> | 5.3 | 1.5 |
Completeness [%] | 67.0 | 41.8 |
Redundancy | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * | 8.15 * | Mangel, W.F., (1990) Biochemistry, 29, 8351. * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | trypsin | 60 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 0.05 (M) | |
3 | 1 | drop | 0.3 (M) | ||
4 | 1 | drop | 0.006 (M) | ||
5 | 1 | drop | benzamidine | 0.06 (M) | |
6 | 1 | drop | enzyme | 1.3 (mM) | |
7 | 1 | reservoir | Tris-HCl | 0.05 (M) | |
8 | 1 | reservoir | 1.6-1.8 (M) |