5ITU
Crystal Structure of Human NEIL1(242K) bound to duplex DNA containing THF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-01 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.701, 109.290, 171.881 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.230 - 2.410 |
R-factor | 0.213 |
Rwork | 0.210 |
R-free | 0.26000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tdh |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.230 | 2.450 |
High resolution limit [Å] | 2.410 | 2.410 |
Rmerge | 0.078 | |
Number of reflections | 50869 | |
<I/σ(I)> | 24.26 | |
Completeness [%] | 98.9 | 100 |
Redundancy | 5.8 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 277 | 0.1 M cacodylic acid (pH 7.0), 0.1 M NaCl, 0.05 M MgCl2 and 24% (w/v) PEG 8000 |