7LXJ
Bacillus cereus DNA glycosylase AlkD bound to a duocarmycin SA-adenine nucleobase adduct and DNA containing an abasic site
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 | 2018-10-08 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 124.715, 55.661, 47.991 |
Unit cell angles | 90.00, 112.20, 90.00 |
Refinement procedure
Resolution | 44.434 - 1.930 |
R-factor | 0.1564 |
Rwork | 0.154 |
R-free | 0.20120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bvs |
RMSD bond length | 0.011 |
RMSD bond angle | 1.116 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
High resolution limit [Å] | 1.930 | 4.180 | 1.940 |
Rmerge | 0.067 | 0.030 | 0.598 |
Rmeas | 0.073 | 0.033 | 0.654 |
Rpim | 0.028 | 0.013 | 0.259 |
Number of reflections | 22584 | 2332 | 2210 |
<I/σ(I)> | 10.9 | ||
Completeness [%] | 99.9 | 99.7 | 98.8 |
Redundancy | 6.3 | 6.2 | 5.9 |
CC(1/2) | 0.999 | 0.836 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 24% (w/v) PEG 8000, 50 mM HEPES pH 7.0, and 50 mM calcium chloride |