1M0E
ZEBULARINE: A NOVEL DNA METHYLATION INHIBITOR THAT FORMS A COVALENT COMPLEX WITH DNA METHYLTRANSFERASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X8C |
Synchrotron site | NSLS |
Beamline | X8C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 1999-09-16 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.979 |
Spacegroup name | H 3 2 |
Unit cell lengths | 96.190, 96.190, 315.750 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.700 - 2.500 |
Rwork | 0.177 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 9mht |
RMSD bond length | 0.011 |
RMSD bond angle | 26.200 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.851) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.700 | 2.610 |
High resolution limit [Å] | 2.500 | 2.500 |
Number of reflections | 19591 | |
Completeness [%] | 98.1 | 96.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.5 | 16 * | PEG 8000, Ca acetate, sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | PEG8000 | 20 (%(w/v)) | |
2 | 1 | drop | calcium acetate | 100 (mM) | |
3 | 1 | drop | sodium cacodylate | 50 (mM) | pH6.5 |
4 | 1 | reservoir | sodium cacodylate | 50 (mM) | pH6.5 |