1DIZ
CRYSTAL STRUCTURE OF E. COLI 3-METHYLADENINE DNA GLYCOSYLASE (ALKA) COMPLEXED WITH DNA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 138 |
| Detector technology | CCD |
| Collection date | 1999-06-19 |
| Detector | BRANDEIS |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 82.400, 82.400, 199.700 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 10.000 - 2.500 |
| R-factor | 0.25 |
| Rwork | 0.250 |
| R-free | 0.29000 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 21.700 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.590 |
| High resolution limit [Å] | 2.400 | 2.500 |
| Rmerge | 0.085 | 0.210 |
| Number of reflections | 27877 | |
| <I/σ(I)> | 10 | |
| Completeness [%] | 98.0 | 100 |
| Redundancy | 8 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 15% PEG 4000, 100MM HEPES, 100MM NACL, 50MM MGCL2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | HEPES | ||
| 2 | 1 | 1 | NACL | ||
| 3 | 1 | 1 | MGCL | ||
| 4 | 1 | 1 | PEG 4000 | ||
| 5 | 1 | 2 | PEG 4000 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 8 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 15 (%) | |
| 3 | 1 | reservoir | HEPES | 100 (mM) | |
| 4 | 1 | reservoir | 100 (mM) | ||
| 5 | 1 | reservoir | 50 (mM) | ||
| 6 | 1 | reservoir | ehthylene glycol | 8 (%) |
