1AET
VARIATION IN THE STRENGTH OF A CH TO O HYDROGEN BOND IN AN ARTIFICIAL PROTEIN CAVITY (1-METHYLIMIDAZOLE)
Experimental procedure
Source type | ROTATING ANODE |
Source details | RIGAKU RUH2R |
Temperature [K] | 290 |
Detector technology | AREA DETECTOR |
Collection date | 1993-09 |
Detector | SIEMENS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 105.200, 74.300, 45.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 7.000 - 2.100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cmq |
Data reduction software | XENGEN |
Data scaling software | XENGEN |
Refinement software | XTALVIEW |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.010 |
High resolution limit [Å] | 2.100 | 1.890 |
Rmerge | 0.051 | 0.230 |
Number of reflections | 21369 | |
<I/σ(I)> | 25.2 | 1.9 |
Completeness [%] | 74.0 | 35 |
Redundancy | 1.8 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 6 | 4 * | 20% MPD, 40 MM PHOSPHATE PH 6.0. A SINGLE CRYSTAL OF W191G WAS SOAKED IN 50MM 1-METHYLIMIDAZOLE IN 40% MPD AND 60 MM PHOSPHATE AT PH 4.5. |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 5 (mg/ml) | |
2 | 1 | drop | potassium phosphate | 50 (mM) | |
3 | 1 | drop | MPD | 20 (%(v/v)) | |
4 | 1 | reservoir | MPD | 30 (%(v/v)) |