1T38
HUMAN O6-ALKYLGUANINE-DNA ALKYLTRANSFERASE BOUND TO DNA CONTAINING O6-METHYLGUANINE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 200 |
| Wavelength(s) | 0.97 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 115.698, 115.698, 106.775 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.320 - 3.200 |
| R-factor | 0.261 |
| Rwork | 0.261 |
| R-free | 0.30700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1eh6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 46.000 |
| High resolution limit [Å] | 3.200 |
| Number of reflections | 6205 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | PEG 3000, Tris, sodium chloride, xylitol, calcium acetate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 3000 | ||
| 10 | 1 | 2 | H2O | ||
| 2 | 1 | 1 | Tris | ||
| 3 | 1 | 1 | sodium chloride | ||
| 4 | 1 | 1 | xylitol | ||
| 5 | 1 | 1 | calcium acetate | ||
| 6 | 1 | 1 | H2O | ||
| 7 | 1 | 2 | PEG 3000 | ||
| 8 | 1 | 2 | sodium chloride | ||
| 9 | 1 | 2 | calcium acetate |
