1F4R
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 | 1999-01-01 |
| Detector | PHILLIPS |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 42.100, 57.300, 125.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 500.000 - 2.400 |
| Rwork | 0.239 |
| R-free | 0.27600 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| 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 | 2.510 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.043 | 0.137 |
| Total number of observations | 167384 * | |
| Number of reflections | 12133 * | |
| <I/σ(I)> | 55.4 | |
| Completeness [%] | 99.4 | 99.7 |
| Redundancy | 8 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 22 * | PEG 4000, magnesium chloride, Tris-HCl, glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | MgCl2 | ||
| 3 | 1 | 2 | PEG 4000 | ||
| 4 | 1 | 2 | MgCl2 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | magnesium chloride | 200 (mM) | |
| 2 | 1 | reservoir | Tris-HCl | 100 (mM) | |
| 3 | 1 | reservoir | PEG4000 | 24 (%(w/v)) | |
| 4 | 1 | reservoir | glycerol | 10 (mM) |
