6U16
Human thymine DNA glycosylase N140A mutant bound to DNA with 5-carboxyl-dC substrate
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 | 94.570, 53.230, 81.320 |
| Unit cell angles | 90.00, 94.84, 90.00 |
Refinement procedure
| Resolution | 42.310 - 1.600 |
| R-factor | 0.188 |
| Rwork | 0.186 |
| R-free | 0.21000 |
| 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 |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.3) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 81.030 | 81.030 | 1.630 |
| High resolution limit [Å] | 1.600 | 8.760 | 1.600 |
| Rmerge | 0.110 | 0.042 | 2.988 |
| Rmeas | 0.120 | 0.046 | 3.262 |
| Rpim | 0.047 | 0.017 | 1.287 |
| Total number of observations | 319002 | 2424 | 15759 |
| Number of reflections | 51720 | 354 | 2539 |
| <I/σ(I)> | 6.7 | 28 | 0.8 |
| Completeness [%] | 97.3 | 99.5 | 98.2 |
| Redundancy | 6.2 | 6.8 | 6.2 |
| CC(1/2) | 0.997 | 0.999 | 0.288 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | PEG 3350, Ammonium Acetate, Sodium Acetate |
