8T1U
Crystal structure of the DRM2-CTA DNA complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-31 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.97741 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 54.469, 232.853, 118.497 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.410 - 2.910 |
R-factor | 0.2109 |
Rwork | 0.206 |
R-free | 0.25330 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.737 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 6.240 | 2.900 |
Rmerge | 0.260 | 0.100 | 0.804 |
Rmeas | 0.316 | 0.122 | 0.990 |
Rpim | 0.177 | 0.068 | 0.568 |
Total number of observations | 48468 | ||
Number of reflections | 16195 | 1686 | 1510 |
<I/σ(I)> | 2.7 | ||
Completeness [%] | 95.3 | 92 | 90.3 |
Redundancy | 3 | 2.9 | 2.6 |
CC(1/2) | 0.888 | 0.984 | 0.545 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M Ammonium citrate tribasic and 20% w/v polyethylene glycol 3350 (pH 7.0) |