2HHV
T:O6-methyl-guanine in the polymerase-2 basepair position
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-BM |
Synchrotron site | APS |
Beamline | 19-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-12-14 |
Detector | CUSTOM-MADE |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.956, 93.357, 106.125 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.550 |
Rwork | 0.216 |
R-free | 0.23900 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.005 |
RMSD bond angle | 1.152 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.610 |
High resolution limit [Å] | 1.550 | 1.550 |
Number of reflections | 122294 | |
<I/σ(I)> | 16.2 | 2.1 |
Completeness [%] | 96.8 | 93.5 |
Redundancy | 4.3 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | 45% saturated ammonium sulfate, 2.5% MPD, 100 mM MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | ammonium sulfate | ||
2 | 1 | 1 | MPD | ||
3 | 1 | 1 | MES | ||
4 | 1 | 1 | H2O | ||
5 | 1 | 2 | ammonium sulfate | ||
6 | 1 | 2 | MPD | ||
7 | 1 | 2 | H2O |