3TKB
crystal structure of human uracil-DNA glycosylase D183G/K302R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-29 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 42.530, 39.710, 66.730 |
| Unit cell angles | 90.00, 97.91, 90.00 |
Refinement procedure
| Resolution | 34.040 - 1.500 |
| R-factor | 0.1535 |
| Rwork | 0.151 |
| R-free | 0.19200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1akz |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.510 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.040 | 34.040 | 1.580 |
| High resolution limit [Å] | 1.399 | 4.740 | 1.500 |
| Rmerge | 0.021 | 0.015 | 0.041 |
| Total number of observations | 4184 | 4555 | |
| Number of reflections | 30527 | ||
| <I/σ(I)> | 42.29 | 38 | 17.8 |
| Completeness [%] | 69.6 | 91.4 | 38.4 |
| Redundancy | 3.567 | 3.8 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 296 | 18% PEG 4000, 0.041M ammonium sulfate, 0.05M sodium chloride, 0.1M imidazole/maleate, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
