1XUH
TRYPSIN-KETO-BABIM-CO+2, PH 8.2
Experimental procedure
Detector technology | AREA DETECTOR |
Detector | SIEMENS-NICOLET X100 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 54.990, 54.990, 109.630 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 7.500 * - 2.370* |
R-factor | 0.135 |
Rwork | 0.135 |
R-free | 0.18800 |
RMSD bond length | 0.018 |
RMSD bond angle | 27.000 * |
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] | 7.500 * | 2.470 |
High resolution limit [Å] | 2.370 * | 2.370 |
Rmerge | 0.128 | |
Total number of observations | 15007 * | |
Number of reflections | 7146 | |
Completeness [%] | 76.4 | 47.1 |
Redundancy | 2.1 |
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 CO+2. COMPLEX PRODUCED BY SOAKING TRYPSIN-BENZAMIDINE CO-CRYSTAL. |