5CLA
Alkylpurine DNA glycosylase AlkD bound to DNA containing an abasic site and a free nucleobase (100% product at 360 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 | 2014-08-15 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.427, 93.082, 48.045 |
| Unit cell angles | 90.00, 112.61, 90.00 |
Refinement procedure
| Resolution | 35.043 - 1.541 |
| R-factor | 0.149 |
| Rwork | 0.148 |
| R-free | 0.16940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bvs |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.041 |
| 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 | 1.600 |
| High resolution limit [Å] | 1.540 | 3.320 | 1.540 |
| Rmerge | 0.049 | 0.043 | 0.138 |
| Rmeas | 0.053 | 0.046 | 0.149 |
| Rpim | 0.019 | 0.017 | 0.054 |
| Total number of observations | 344562 | ||
| Number of reflections | 44689 | ||
| <I/σ(I)> | 20.9 | 16.594 | |
| Completeness [%] | 96.9 | 97.5 | 92.3 |
| Redundancy | 7.7 | 7.6 | 7.4 |
| CC(1/2) | 0.998 | 0.994 |
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 |
