1YFH
wt Human O6-Alkylguanine-DNA Alkyltransferase Bound To DNA Containing an Alkylated Cytosine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2004-04-04 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | .900 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.150, 102.710, 87.940 |
| Unit cell angles | 90.00, 106.77, 90.00 |
Refinement procedure
| Resolution | 29.170 - 3.010 |
| R-factor | 0.246 |
| Rwork | 0.246 |
| R-free | 0.28600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1t38 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.090 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Number of reflections | 19448 | |
| Completeness [%] | 98.4 | 98.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 277 | PEG 4000, sodium chloride, citrate, magnesium chloride, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 4000 | ||
| 2 | 1 | 1 | sodium chloride | ||
| 3 | 1 | 1 | citrate | ||
| 4 | 1 | 1 | magnesium chloride | ||
| 5 | 1 | 1 | H2O | ||
| 6 | 1 | 2 | PEG 4000 | ||
| 7 | 1 | 2 | sodium chloride | ||
| 8 | 1 | 2 | citrate | ||
| 9 | 1 | 2 | magnesium chloride |
