1C2E
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 | 1997-02-10 |
Detector | RIGAKU RAXIS IV++ |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.970, 54.970, 109.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.500 - 1.650 |
R-factor | 0.179 |
Rwork | 0.179 |
R-free | 0.21200 |
Structure solution method | DIFFERENCE FOURIER PLUS REFINEMENT |
RMSD bond length | 0.018 |
RMSD bond angle | 3.900 |
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] | 54.880 | 1.720 |
High resolution limit [Å] | 1.380 | 1.650 |
Rmerge | 0.087 | 0.237 |
Number of reflections | 18642 | |
<I/σ(I)> | 7 | 1.9 |
Completeness [%] | 68.0 | 32.8 |
Redundancy | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 9 | BATCH, 1.51 M MGSO4 . 7 H2O, 0.59 MM TRYPSIN, 1.0 MM ZN(II) 5.0 % DMSO: CRYSTALLIZATION SOLUTION WAS SATURATED IN KETO-BABIM. CRYSTAL WAS TRANSFERRED TO SYNTHETIC MOTHER LIQUOR CONTAINING ~0.4 MM ZN(II), PH 9.00 AND SOAKED FOR SEVERAL DAYS WITH SEVERAL REPLACEMENTS OF SOAKING SOLUTIONS. THE SOLUTION WAS SATURATED IN KETO-BABIM AND CONTAINED 2.0 % DMSO TO INCREASE INHIBITOR SOLUBILITY. |