1AB9
CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 292 |
Detector technology | IMAGE PLATE |
Collection date | 1995-10-24 |
Detector | RIGAKU RAXIS IIC |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 69.520, 69.520, 97.810 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 1.600 |
R-factor | 0.191 |
Rwork | 0.191 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gct |
RMSD bond length | 0.007 |
RMSD bond angle | 26.600 * |
Data reduction software | PROCESS |
Data scaling software | PROCESS |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 69.500 | 1.650 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.055 | 0.208 |
Total number of observations | 332021 * | |
Number of reflections | 31740 | |
<I/σ(I)> | 15.1 | 3.1 |
Completeness [%] | 97.8 | 94.7 |
Redundancy | 10.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 5.6 | ALPHA-CHYMOTRYPSIN WAS DISSOLVED IN POTASSIUM BORATE (PH8.6) AND WAS INCUBATED AT 310K FOR 6 HOURS. SOLID AMMONIUM SULFATE WAS ADDED TO THE SOLUTION, AND THE PRECIPITATE FORMED WAS RECOVERED AND RE-DISSOLVED WITH WATER. CRYSTALLIZATION WAS DONE WITH A SITTING-DROP VAPOR-DIFFUSION PROCEDURE, IN WHICH PROTEIN SOLUTION (15MG/ML) CONTAINING 10MM CACODYLATE, 0.75% SATURATED ACETYLTRIMETHYL AMMONIUM AND 45% SATURATED AMMONIUM SULFATE WAS EQUILIBRATED AGAINST 65% SATURATED AMMONIUM SULFATE AT 293K., pH 5.6, vapor diffusion - sitting drop |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | chymotrypsin | 15 (mg/ml) | |
2 | 1 | drop | sodium cacodylate | 10 (mM) | |
3 | 1 | drop | cetyltrimethylammonium bromide | 0.75 (%sat) | |
4 | 1 | drop | ammonium sulfate | 45 (%sat) | |
5 | 1 | reservoir | ammonium sulfate | 65 (%sat) |