5ITR
Crystal Structure of Human NEIL1(P2G) bound to duplex DNA containing THF
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-11-01 |
Detector | MAR CCD 130 mm |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.306, 109.036, 169.837 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.750 - 2.460 |
R-factor | 0.213 |
Rwork | 0.211 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1tdh |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.750 | 2.520 |
High resolution limit [Å] | 2.460 | 2.460 |
Rmerge | 0.077 | |
Number of reflections | 47431 | |
<I/σ(I)> | 22.58 | |
Completeness [%] | 99.4 | 99.8 |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 6.5 | 277 | 0.1M cacodylic acid (pH 7.0), 0.1M NaCl, 0.05 M MgCl2, 24%(w/v) PEG 8000 |