5UUG
Bacillus cereus DNA glycosylase AlkD bound to a yatakemycin-adenine nucleobase adduct and DNA containing an abasic site (9-mer product complex)
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 | 2015-06-27 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97857 |
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 - 1.712 |
R-factor | 0.1383 |
Rwork | 0.136 |
R-free | 0.17690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3bvs |
RMSD bond length | 0.010 |
RMSD bond angle | 1.313 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.770 |
High resolution limit [Å] | 1.710 | 3.680 | 1.710 |
Rmerge | 0.084 | 0.034 | 0.577 |
Rmeas | 0.091 | 0.037 | 0.634 |
Rpim | 0.036 | 0.015 | 0.259 |
Number of reflections | 32871 | ||
<I/σ(I)> | 10.6 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 6.5 | 6.5 | 5.9 |
CC(1/2) | 0.999 | 0.877 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 294 | 25% PEG8000, 50 mM HEPES, pH 7.0, 50 mM calcium chloride |