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 |