3JY1
Bacillus cereus Alkylpurine DNA Glycosylase AlkD Bound to DNA Containing an Abasic Site (across from C)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-08-21 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | .97850 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.125, 57.493, 54.069 |
| Unit cell angles | 90.00, 101.67, 90.00 |
Refinement procedure
| Resolution | 41.100 - 1.754 |
| R-factor | 0.1842 |
| Rwork | 0.183 |
| R-free | 0.20410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3BVS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.997 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.100 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 29043 | |
| <I/σ(I)> | 30.8 | 3 |
| Completeness [%] | 92.3 | 65.7 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | .1 M BisTris pH 6.5 .075 M NaCl, 20% PEG 3350, 5% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
