3GIL
Dpo4 extension ternary complex with oxoG(anti)-T(anti) pair
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-11-22 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.289, 110.682, 102.190 |
| Unit cell angles | 90.00, 99.22, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.710 |
| R-factor | 0.203 |
| Rwork | 0.200 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gij |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.626 |
| 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 | 2.780 |
| High resolution limit [Å] | 2.700 | 6.130 | 2.700 |
| Rmerge | 0.113 | 0.096 | 0.465 |
| Number of reflections | 31388 | ||
| <I/σ(I)> | 12.553 | 2.5 | |
| Completeness [%] | 99.2 | 99.9 | 96.3 |
| Redundancy | 4.1 | 4 | 3.2 |
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 |
