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 |