4DQQ
Ternary complex of Bacillus DNA Polymerase I Large Fragment E658A, DNA duplex, and rCTP (paired with dG of template) in presence of Mg2+
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Detector technology | CCD |
Collection date | 2011-01-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.1158 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 93.540, 107.970, 149.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 79.354 - 1.595 |
R-factor | 0.161 |
Rwork | 0.160 |
R-free | 0.17940 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 2hvi |
RMSD bond length | 0.011 |
RMSD bond angle | 1.356 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX (dev_1026) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.000 | 100.000 | 1.690 |
High resolution limit [Å] | 1.590 | 4.780 | 1.590 |
Rmerge | 0.057 | 0.026 | 0.478 |
Number of reflections | 200705 | ||
<I/σ(I)> | 26.33 | 69.65 | 4.09 |
Completeness [%] | 98.7 | 99.7 | 92.3 |
Redundancy | 9.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | 58% Saturated Ammonium Sulfate, 2.5% MPD, 10mM MgSO4, 100mM MES (pH 5.8), VAPOR DIFFUSION, HANGING DROP, temperature 290K |