5CL7
Alkylpurine DNA glycosylase AlkD bound to DNA containing a 3-methyladenine analog or DNA containing an abasic site and a free nucleobase (18% substrate/82% product at 96 hours)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-31 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.386, 93.153, 48.203 |
Unit cell angles | 90.00, 112.81, 90.00 |
Refinement procedure
Resolution | 35.390 - 1.440 |
R-factor | 0.129 |
Rwork | 0.128 |
R-free | 0.16600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bvs |
RMSD bond length | 0.008 |
RMSD bond angle | 1.219 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.460 |
High resolution limit [Å] | 1.436 | 1.440 |
Rmerge | 0.069 | 0.509 |
Number of reflections | 54698 | |
<I/σ(I)> | 12.8 | 3.526 |
Completeness [%] | 96.4 | 93.8 |
Redundancy | 6.4 | 6.1 |
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 |