1BNK
HUMAN 3-METHYLADENINE DNA GLYCOSYLASE COMPLEXED TO DNA
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-03-15 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.5418, 1.0100, 0.9787, 0.9784, 0.9500 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.750, 57.100, 128.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 8.000 - 2.700 |
| R-factor | 0.216 |
| Rwork | 0.216 |
| R-free | 0.26000 |
| Structure solution method | MAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.360 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | CNS (0.3C) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.820 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.046 * | 0.176 * |
| Total number of observations | 269241 * | |
| Number of reflections | 9321 | |
| <I/σ(I)> | 15 | 10 |
| Completeness [%] | 99.6 * | 100 |
| Redundancy | 9 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 22 * | pH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 0.3 (mM) | |
| 10 | 1 | reservoir | PEG8000 | 13-15 (%(w/v)) | |
| 2 | 1 | drop | 100 (mM) | ||
| 3 | 1 | drop | HEPES | 20 (mM) | |
| 4 | 1 | drop | EDTA | 0.1 (mM) | |
| 5 | 1 | drop | glycerol | 5 (%) | |
| 6 | 1 | drop | dithiothreitol | 1-5 (mM) | |
| 7 | 1 | reservoir | magnesium acetate | 200 (mM) | |
| 8 | 1 | reservoir | sodium cacodylate | 150 (mM) | |
| 9 | 1 | reservoir | beta-mercaptoethanol | 0-3 (mM) |
