6LWI
Crystal structure of human NEIL1(P2G, E3Q, R242) bound to duplex DNA containing dihydrothymine (DHT)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-15 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.014, 108.605, 170.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.710 - 2.720 |
R-factor | 0.2072 |
Rwork | 0.205 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ity |
RMSD bond length | 0.010 |
RMSD bond angle | 1.610 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.770 |
High resolution limit [Å] | 2.700 | 7.380 | 2.720 |
Rmerge | 0.102 | 0.064 | 0.916 |
Rmeas | 0.111 | 0.070 | 0.994 |
Rpim | 0.044 | 0.029 | 0.383 |
Number of reflections | 38106 | 2081 | 1904 |
<I/σ(I)> | 5.9 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 6.4 | 6 | 6.6 |
CC(1/2) | 0.996 | 0.785 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.1 M cacodylic acid (pH 6.5), 0.1 M NaCl, 0.05 M MgCl2 and 18% (w/v) PEG 8000 |