5U2S
Pre-catalytic ternary complex of Human DNA Polymerase Beta With Gapped DNA substrate incoming (-)3TC-TP and Ca2+.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 295 |
| Detector technology | CCD |
| Collection date | 2014-12-03 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.630, 79.450, 55.170 |
| Unit cell angles | 90.00, 106.66, 90.00 |
Refinement procedure
| Resolution | 44.030 - 2.300 |
| R-factor | 0.233 |
| Rwork | 0.230 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rq7 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.476 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.030 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.160 | 0.442 |
| Number of reflections | 23005 | |
| <I/σ(I)> | 6.2 | 4.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 295 | 50 MM IMIDAZOLE, 350 MM SODIUM ACETATE, 17% PEG3350 |
