3JXZ
Bacillus cereus Alkylpurine DNA Glycosylase AlkD Bound to DNA Containing an Abasic Site (across from T)
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 | 2007-08-12 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | .97850 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.333, 57.445, 53.655 |
| Unit cell angles | 90.00, 101.88, 90.00 |
Refinement procedure
| Resolution | 28.867 - 1.750 |
| R-factor | 0.1866 |
| Rwork | 0.184 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3BVS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.029 |
| 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] | 28.900 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 30136 | |
| <I/σ(I)> | 13.5 | 2.9 |
| Completeness [%] | 95.5 | 94.8 |
| Redundancy | 3.3 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | .1 M BisTris pH 6.5 .1 M NaCl, 19% PEG 3350, 2% glycerol, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
