1CCL
PROBING THE STRENGTH AND CHARACTER OF AN ASP-HIS-X HYDROGEN BOND BY INTRODUCING BURIED CHARGES
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 290 |
| Detector technology | AREA DETECTOR |
| Collection date | 1995-06 |
| Detector | SIEMENS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 103.400, 73.200, 44.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 5.000 - 2.000 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cca |
| Data reduction software | XENGEN |
| Data scaling software | XENGEN |
| Phasing software | X-PLOR (3.1) |
| Refinement software | XTALVIEW |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 2.060 | |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | |
| Number of reflections | 19991 | |
| <I/σ(I)> | 27.4 | 2 |
| Completeness [%] | 82.0 | 78.4 |
| Redundancy | 1.8 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | dialaysis | DIALYSIS AGAINST DISTILLED WATER, dialaysis |
