6FBU
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli (E2Q) in complex with AP-site containing DNA substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 5ID-B |
Synchrotron site | APS |
Beamline | 5ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-12-24 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.102 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 75.340, 75.340, 164.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.251 - 2.000 |
R-factor | 0.2434 |
Rwork | 0.241 |
R-free | 0.28100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oq4 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.065 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.730 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.107 | 0.792 |
Rmeas | 0.116 | 0.866 |
Rpim | 0.045 | 0.347 |
Number of reflections | 32845 | 2385 |
<I/σ(I)> | 9.7 | 1.9 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 6.6 | 6.1 |
CC(1/2) | 0.997 | 0.803 |
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 |