1AFQ
CRYSTAL STRUCTURE OF BOVINE GAMMA-CHYMOTRYPSIN COMPLEXED WITH A SYNTHETIC INHIBITOR
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 292 |
| Detector technology | IMAGE PLATE |
| Collection date | 1995-11-10 |
| Detector | RIGAKU |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 69.840, 69.840, 97.360 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 1.800 |
| R-factor | 0.181 |
| Rwork | 0.181 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ab9 |
| 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] | 97.400 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.059 | 0.143 * |
| Total number of observations | 215467 * | |
| Number of reflections | 22647 | |
| <I/σ(I)> | 13.5 | 4.09 |
| Completeness [%] | 98.1 | 94.6 * |
| Redundancy | 9.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion * | 5.6 * | 293 | GAMMA-CHYMOTRYPSIN CRYSTALS WERE SOAKED INTO A SOLUTION CONTAINING SATURATED INHIBITOR, 65% SATURATED AMMONIUM SULFATE AND 100 MM HEPES BUFFER (PH7.5) AT 293K FOR A MONTH. |
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 | 10.5 (mM) | |
| 3 | 1 | drop | cetyltrimethylammonium bromide | 0.75 (%sat) | |
| 4 | 1 | drop | ammonium sulfate | 45 (%sat) | |
| 5 | 1 | reservoir | ammonium sulfate | 65 (%sat) |
