2WBC
REFINED CRYSTAL STRUCTURE (2.3 ANGSTROM) OF A WINGED BEAN CHYMOTRYPSIN INHIBITOR AND LOCATION OF ITS SECOND REACTIVE SITE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-D |
| Temperature [K] | 293 |
| Detector technology | IMAGE PLATE |
| Collection date | 1996-05 |
| Detector | RIGAKU |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 61.800, 61.800, 212.810 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.300 |
| R-factor | 0.187 |
| Rwork | 0.187 |
| R-free | 0.24100 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 27.192 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 12.000 |
| High resolution limit [Å] | 2.300 |
| Rmerge | 0.095 |
| Total number of observations | 10551 * |
| Number of reflections | 9897 |
| Completeness [%] | 80.1 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 4 * | PROTEIN WAS CRYSTALLIZED BY HANGING DROP VAPOUR DIFFUSION FROM 25% AMM. SULPHATE IN TRIS-HCL, 10MM NA ACETATE,400 MM NACL AT PH 5.4 AGAINST 25% AMM. SULPHATE,60MM NA ACETATE AT 4 DEGREE CENTIGRADE., vapor diffusion - hanging drop, temperature 277K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8.6 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 71.4 (mM) | |
| 3 | 1 | drop | 286 (mM) | ||
| 4 | 1 | drop | ammonium sulfate | 1.4 (%) | |
| 5 | 1 | drop | sodium acetate | 2.9 (mM) | |
| 6 | 1 | reservoir | ammonium sulfate | 25 (%) | |
| 7 | 1 | reservoir | sodium acetate | 60 (mM) |
