5CL8
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 144 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 | 2014-08-25 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 38.502, 93.446, 48.767 |
Unit cell angles | 90.00, 114.19, 90.00 |
Refinement procedure
Resolution | 35.120 - 1.380 |
R-factor | 0.134 |
Rwork | 0.133 |
R-free | 0.15800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bvs |
RMSD bond length | 0.008 |
RMSD bond angle | 1.157 |
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 | 1.400 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.047 | 0.318 |
Number of reflections | 64201 | |
<I/σ(I)> | 17.1 | 5.091 |
Completeness [%] | 99.5 | 96.1 |
Redundancy | 7.3 | 5.2 |
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 |