3JX7
Bacillus cereus alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-METHYLADENINE analog
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 | CCD |
| Collection date | 2007-09-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | .97850 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 37.759, 92.966, 47.767 |
| Unit cell angles | 90.00, 113.01, 90.00 |
Refinement procedure
| Resolution | 34.755 - 1.600 |
| R-factor | 0.1604 |
| Rwork | 0.159 |
| R-free | 0.18290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB 3BVS |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.091 |
| 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] | 44.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 38351 | |
| <I/σ(I)> | 24.8 | 3.5 |
| Completeness [%] | 95.8 | 75.3 |
| Redundancy | 4.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 294 | 0.17 M ammonium acetate, 0.085 M sodium acetate trihydrate pH 4.6, 25.5% PEG 4000, 15% glycerol , VAPOR DIFFUSION, SITTING DROP, temperature 294K |
