3CWA
Crystal Structure of an AlkA Host/Guest Complex 8oxoGuanine:Cytosine Base Pair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 75.428, 101.427, 102.569 |
Unit cell angles | 90.00, 94.31, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
Rwork | 0.219 |
R-free | 0.26000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
High resolution limit [Å] | 2.400 | 5.170 | 2.400 |
Rmerge | 0.050 | 0.024 | 0.209 |
Number of reflections | 60019 | ||
<I/σ(I)> | 14 | ||
Completeness [%] | 98.1 | 98.9 | 87.4 |
Redundancy | 3.6 | 3.6 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop vapor diffusion | 8 | 295 | PEG4000, NaCl, Na-HEPES, MgCl2, ethylene glycol, pH 8.0, hanging drop vapor diffusion, temperature 295K |
1 | hanging drop vapor diffusion | 8 | 295 | PEG4000, NaCl, Na-HEPES, MgCl2, ethylene glycol, pH 8.0, hanging drop vapor diffusion, temperature 295K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | PEG4000 | ||
10 | 1 | 2 | ethylene glycol | ||
2 | 1 | 1 | NaCl | ||
3 | 1 | 1 | Na-HEPES | ||
4 | 1 | 1 | MgCl2 | ||
5 | 1 | 1 | ethylene glycol | ||
6 | 1 | 2 | PEG4000 | ||
7 | 1 | 2 | NaCl | ||
8 | 1 | 2 | Na-HEPES | ||
9 | 1 | 2 | MgCl2 |