5T2W
Structure of thymine DNA glycosylase bound to substrate analog 2'-F-5-formyl-dC
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 83.530, 51.900, 82.030 |
Unit cell angles | 90.00, 101.52, 90.00 |
Refinement procedure
Resolution | 21.370 - 2.200 |
R-factor | 0.1824 |
Rwork | 0.180 |
R-free | 0.22600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5hf7 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.830 | 2.270 |
High resolution limit [Å] | 2.200 | 2.200 |
Rpim | 0.170 | |
Number of reflections | 17671 | |
<I/σ(I)> | 4.3 | 0.7 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.1 | 10.2 |
CC(1/2) | 0.982 | 0.316 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 300 | PEG3350, Ammonium Chloride |