3OGD
AlkA Undamaged DNA Complex: Interrogation of a G*:C 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 | 2008-11-25 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.91970 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 139.700, 139.700, 95.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.177 - 2.800 |
| R-factor | 0.2179 |
| Rwork | 0.215 |
| R-free | 0.26930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1diz |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.017 |
| 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 | 2.900 |
| High resolution limit [Å] | 2.779 | 6.030 | 2.800 |
| Rmerge | 0.072 | 0.045 | 0.603 |
| Number of reflections | 12042 | ||
| <I/σ(I)> | 12.4 | ||
| Completeness [%] | 99.5 | 95.7 | 100 |
| Redundancy | 7.6 | 6.7 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 25-29% peg3350, 100mM Bis-Tris 6.0-6.6, 200mM LiSo, 3% 6-aminocaproic acid, pH 6.0-6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
