2EA0
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli in complex with AP-site containing DNA substrate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X26C |
| Synchrotron site | NSLS |
| Beamline | X26C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.100 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 76.184, 76.184, 164.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.400 |
| R-factor | 0.1563 |
| R-free | 0.20430 |
| Structure solution method | throughout |
| Starting model (for MR) | 1k3w |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.034 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.064 | |
| Number of reflections | 91763 | |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 69.8 | |
| Redundancy | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 1.8M ammonium sulfate, 0.1M sodium acetate pH 4.6-5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | ammonium sulfate | ||
| 2 | 1 | 1 | sodium acetate | ||
| 3 | 1 | 1 | h2o | ||
| 4 | 1 | 2 | ammonium sulfate | ||
| 5 | 1 | 2 | sodium acetate | ||
| 6 | 1 | 2 | h2o |
