3GIM
Dpo4 extension ternary complex with oxoG(anti)-G(syn) pair
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-22 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97911 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 99.668, 111.924, 53.158 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.700 |
R-factor | 0.217 |
Rwork | 0.214 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gik |
RMSD bond length | 0.008 |
RMSD bond angle | 1.522 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 2.800 |
High resolution limit [Å] | 2.700 | 5.770 | 2.700 |
Rmerge | 0.093 | 0.056 | 0.493 |
Number of reflections | 15930 | ||
<I/σ(I)> | 18.58 | 3 | |
Completeness [%] | 93.8 | 98.4 | 72.7 |
Redundancy | 6.1 | 6 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 100 mM HEPES, 100 mM Calcium acetate, 10% PEG 4000, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | HEPES | ||
2 | 1 | 2 | Calcium acetate | ||
3 | 1 | 3 | PEG 4000 |