5TBC
PRECATALYTIC TERNARY COMPLEX OF HUMAN DNA POLYMERASE BETA WITH GAPPED DNA SUBSTRATE, INCORPORATED (-)3TC-MP AND AN ANOTHER INCOMING (-)3TC-TP NUCLEOTIDE.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2014-04-05 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 55.330, 79.530, 55.330 |
| Unit cell angles | 90.00, 107.39, 90.00 |
Refinement procedure
| Resolution | 32.760 - 1.850 |
| R-factor | 0.231 |
| Rwork | 0.228 |
| R-free | 0.27900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rq7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.162 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.760 | 1.890 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.088 | 0.686 |
| Number of reflections | 38657 | |
| <I/σ(I)> | 8.4 | 2 |
| Completeness [%] | 98.9 | 98.7 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 50 MM IMIDAZOLE, 350 MM SODIUM ACETATE, 17% PEG3350 , PH 8.0 |
