1RRQ
MutY adenine glycosylase in complex with DNA containing an A:oxoG pair
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-06-30 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 37.763, 85.699, 142.088 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.690 - 2.220 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.26200 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 22.000 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.300 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Rmerge | 0.122 | 0.279 |
| Number of reflections | 21575 | |
| <I/σ(I)> | 13.4 | 4.3 |
| Completeness [%] | 91.9 * | 82.5 |
| Redundancy | 5.1 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 298 | Tris, PEG 8000, calcium acetate, 2-mercaptoethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 298 | Tris, PEG 8000, calcium acetate, 2-mercaptoethanol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tris | ||
| 2 | 1 | 1 | PEG 8000 | ||
| 3 | 1 | 1 | calcium acetate | ||
| 4 | 1 | 1 | 2-mercaptoethanol |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | 100 (mM) | pH8.5 | |
| 2 | 1 | reservoir | PEG4000 | 14 (%(w/w)) | |
| 3 | 1 | reservoir | 500 (mM) | ||
| 4 | 1 | reservoir | beta-mercaptoethanol | 5 (mM) | |
| 5 | 1 | drop | Tris | 20 (mM) | pH7.4 |
| 6 | 1 | drop | 200 (mM) | ||
| 7 | 1 | drop | beta-mercaptoethanol | 5 (mM) | |
| 8 | 1 | drop | protein | 15 (mg/ml) |
