5CL3
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog (100% substrate at 4 hours)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-03-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97872 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.194, 93.652, 48.075 |
Unit cell angles | 90.00, 113.05, 90.00 |
Refinement procedure
Resolution | 39.998 - 1.971 |
R-factor | 0.1577 |
Rwork | 0.156 |
R-free | 0.18900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bvs |
RMSD bond length | 0.007 |
RMSD bond angle | 0.990 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.040 |
High resolution limit [Å] | 1.970 | 4.240 | 1.970 |
Rmerge | 0.068 | 0.029 | 0.521 |
Rmeas | 0.078 | 0.033 | 0.599 |
Rpim | 0.038 | 0.016 | 0.291 |
Total number of observations | 90997 | ||
Number of reflections | 21947 | ||
<I/σ(I)> | 10.8 | 2.8649 | |
Completeness [%] | 99.8 | 99.7 | 99.5 |
Redundancy | 4.1 | 4.1 | 4 |
CC(1/2) | 0.999 | 0.866 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 294 | 15% w/v PEG4000, 42 mM sodium acetate, pH 4.6, 85 mM ammonium acetate, 5% v/v glycerol |