3OH6
AlkA Undamaged DNA Complex: Interrogation of a C:G base pair
Experimental procedure
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2009-04-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.91970 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 140.300, 140.300, 94.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.998 - 2.894 |
| R-factor | 0.229 |
| Rwork | 0.227 |
| R-free | 0.26880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1diz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.044 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 3.000 |
| High resolution limit [Å] | 2.894 | 6.240 | 2.900 |
| Rmerge | 0.106 | 0.064 | 0.493 |
| Number of reflections | 10809 | ||
| <I/σ(I)> | 8.4 | ||
| Completeness [%] | 99.8 | 98.6 | 100 |
| Redundancy | 9.2 | 8.4 | 9.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25-29% peg3350, 100mM BisTris, 200mM Li2SO4, 3% 6-aminocaproic acid, pH 6.0-6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
