2ASD
oxoG-modified Insertion Ternary Complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-ID-B |
| Synchrotron site | APS |
| Beamline | 14-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.955, 101.109, 84.124 |
| Unit cell angles | 90.00, 97.14, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.950 |
| R-factor | 0.226 |
| Rwork | 0.225 |
| R-free | 0.25255 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1jx4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.316 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.039 | 0.671 |
| Number of reflections | 98435 | |
| Completeness [%] | 99.2 | 98.7 |
| Redundancy | 4.5 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | PEG 4000, HEPES-sodium, calcium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | HEPES-sodium | ||
| 3 | 1 | 1 | calcium acetate | ||
| 4 | 1 | 1 | H2O | ||
| 5 | 1 | 2 | PEG 4000 | ||
| 6 | 1 | 2 | calcium acetate | ||
| 7 | 1 | 2 | H2O |
