4VGC
GAMMA-CHYMOTRYPSIN D-NAPHTHYL-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 | 1995-04 |
Detector | SIEMENS |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 69.890, 69.890, 96.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.100 |
R-factor | 0.1938 |
Rwork | 0.194 |
R-free | 0.26790 * |
Structure solution method | DIRECT SOLUTION WITH KNOWN STRUCTURE |
Starting model (for MR) | 3gch |
RMSD bond length | 0.011 |
RMSD bond angle | 26.320 * |
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 | 2.190 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.075 * | |
Number of reflections | 14525 | |
Completeness [%] | 89.7 * | 49.4 |
Redundancy | 5.34 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 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) |