4Z3A
Acetate-free structure of the enzyme-product complex resulting from TDG action on a GU mismatch
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 | 2015-01-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 95.158, 53.565, 81.390 |
| Unit cell angles | 90.00, 95.06, 90.00 |
Refinement procedure
| Resolution | 32.240 - 1.720 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fnc |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.990 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.4) |
| Phasing software | PHASER |
| Refinement software | BUSTER-TNT (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.240 | 1.760 |
| High resolution limit [Å] | 1.720 | 1.720 |
| Rmerge | 0.044 | |
| Number of reflections | 43547 | |
| <I/σ(I)> | 6.64 | 0.57 |
| Completeness [%] | 97.7 | 92.4 |
| Redundancy | 8.8 | 4.63 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.2 M Ammonium chloride, 20% PEG 3350 |
