1EWN
CRYSTAL STRUCTURE OF THE HUMAN AAG DNA REPAIR GLYCOSYLASE COMPLEXED WITH 1,N6-ETHENOADENINE-DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-07-15 |
Detector | BRANDEIS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.145, 57.336, 125.517 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 500.000 - 2.100 |
Rwork | 0.230 |
R-free | 0.25900 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.220 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 500.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.042 | 0.201 |
Total number of observations | 247464 * | |
Number of reflections | 18163 | |
<I/σ(I)> | 6.4 | |
Completeness [%] | 99.3 | 97.8 |
Redundancy | 8 | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 22 * | PEG 4000, MgCl2, Tris-HCl, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | Tris-HCl | ||
2 | 1 | 1 | MgCl2 | ||
3 | 1 | 1 | glycerol | ||
4 | 1 | 1 | PEG 4000 | ||
5 | 1 | 2 | MgCl2 | ||
6 | 1 | 2 | glycerol | ||
7 | 1 | 2 | PEG 4000 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | magnesium chloride | 200 (mM) | |
2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
3 | 1 | reservoir | PEG4000 | 24 (%(w/v)) | |
4 | 1 | reservoir | glycerol | 10 (%) |