1VGC
GAMMA-CHYMOTRYPSIN L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-11 |
| Detector | SIEMENS |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 69.860, 69.860, 97.150 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.900 |
| R-factor | 0.1959 |
| Rwork | 0.196 |
| R-free | 0.25020 * |
| Structure solution method | DIRECT SOLUTION WITH KNOWN STRUCTURE |
| Starting model (for MR) | 3gch |
| RMSD bond length | 0.011 |
| RMSD bond angle | 26.480 * |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 1.990 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.068 | 0.366 |
| Number of reflections | 21972 | |
| Completeness [%] | 95.5 * | 42.74 |
| Redundancy | 3.72 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | in scintillation vials | 5.6 * | Stoddard, B.L., (1990) Biochemistry, 29, 4871. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | chymotrypsin | 15 (mg/ml) | |
| 2 | 1 | 1 | sodium cacodylate | 10 (mM) | |
| 3 | 1 | 1 | cetyltrimethylammonium bromide | 0.75 (%sat) | |
| 4 | 1 | 1 | ammonium sulfate | 45 (%sat) | |
| 5 | 1 | 2 | ammonium sulfate | 65 (%sat) |
