1A2F
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 | 103.800, 73.500, 44.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 5.000 - 2.100 |
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] | 2.100 | |
High resolution limit [Å] | 2.100 | 2.020 |
Rmerge | 0.090 | |
Number of reflections | 24039 | |
<I/σ(I)> | 8.3 | 1 |
Completeness [%] | 93.5 | 81.6 |
Redundancy | 3.6 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | dialysis | DIALYSIS AGAINST DISTILLED WATER, dialysis |