1U4B
Extension of an adenine-8oxoguanine mismatch
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-10 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.313, 93.494, 106.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.750 - 1.600 |
R-factor | 0.2131 |
Rwork | 0.213 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 1L3S |
RMSD bond length | 0.005 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 40.750 |
High resolution limit [Å] | 1.450 |
Number of reflections | 114192 |
<I/σ(I)> | 16.3 |
Completeness [%] | 93.8 |
Redundancy | 16.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 290 | Ammonium Sulfate, Magnesium Sulfate, MPD, MES, pH 5.8, VAPOR DIFFUSION, HANGING DROP, temperature 290K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | (NH4)2SO4 | ||
2 | 1 | 1 | MGSO4 | ||
3 | 1 | 1 | MPD | ||
4 | 1 | 1 | MES | ||
5 | 1 | 2 | (NH4)2SO4 | ||
6 | 1 | 2 | MGSO4 | ||
7 | 1 | 2 | MPD |