6U17
Human thymine DNA glycosylase bound to DNA with 2'-F-5-carboxyl-dC substrate analog
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 | 2017-11-26 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 96.870, 52.760, 81.620 |
| Unit cell angles | 90.00, 95.25, 90.00 |
Refinement procedure
| Resolution | 43.250 - 1.550 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5t2w |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.980 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.270 | 81.270 | 1.580 |
| High resolution limit [Å] | 1.550 | 8.490 | 1.550 |
| Rmerge | 0.145 | 0.068 | 5.336 |
| Rmeas | 0.148 | 0.069 | 5.499 |
| Rpim | 0.030 | 0.013 | 1.280 |
| Total number of observations | 1235432 | 10475 | 43681 |
| Number of reflections | 56857 | 399 | 2528 |
| <I/σ(I)> | 9.4 | 37.1 | 0.8 |
| Completeness [%] | 95.5 | 99.6 | 86.7 |
| Redundancy | 21.7 | 26.3 | 17.3 |
| CC(1/2) | 0.999 | 0.999 | 0.343 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG3350, sodium Acetate, Ammonium acetate |
