1XUJ
TRYPSIN-KETO-BABIM-ZN+2, PH 8.2
Experimental procedure
Detector technology | AREA DETECTOR |
Detector | SIEMENS |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 55.060, 55.060, 109.850 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.500 * - 1.920 |
R-factor | 0.144 |
Rwork | 0.144 |
R-free | 0.17100 |
RMSD bond length | 0.016 |
RMSD bond angle | 26.800 * |
Data reduction software | SADIE |
Data scaling software | SAINT ((SIEMENS)) |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 2.010 | |
High resolution limit [Å] | 1.920 | |
Rmerge | 0.081 | |
Total number of observations | 55659 * | |
Number of reflections | 13575 | |
Completeness [%] | 80.7 | 41.2 |
Redundancy | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | unknown * | 8.2 | SYNTHETIC MOTHER LIQUOR = 75% SATURATED MAGNESIUM SULFATE, 25 % 1.0 M TRIS ADJUSTED TO PH 8.2; SATURATED IN KETO-BABIM, 5.0 MM ZN+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL. |