8TH9
Structure of mammalian NEIL2 from Monodelphis domestica in complex with THF-containing DNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9794 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 121.430, 121.430, 117.695 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.400 - 2.080 |
R-factor | 0.2244 |
Rwork | 0.222 |
R-free | 0.24420 |
Structure solution method | MIRAS |
RMSD bond length | 0.009 |
RMSD bond angle | 1.190 |
Data reduction software | MOSFLM (7.3.0) |
Data scaling software | Aimless (0.7.3) |
Phasing software | SHARP (3.10.9) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.140 |
High resolution limit [Å] | 2.080 | 2.080 |
Rmeas | 0.136 | 2.820 |
Rpim | 0.029 | 0.810 |
Number of reflections | 50479 | 4515 |
<I/σ(I)> | 12.4 | 1.3 |
Completeness [%] | 100.0 | |
Redundancy | 21.6 | |
CC(1/2) | 0.997 | 0.522 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 297 | 50 mM BisTris, 18% PEG 3350, 5% DMSO, 1 mM TCEP, 50 mM sodium acetate. Cryoprotection by increasing to 20% PEG 3350 and 12% DMSO. Complex (90 micromolar protein + 135 micromolar DNA) mixed 1:1 with reservoir solution |