1Q3C
Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The E2A mutant at 2.3 resolution.
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 | 2001-12-23 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.102 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 57.779, 81.067, 169.935 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.690 - 2.300 |
R-factor | 0.245 |
Rwork | 0.245 |
R-free | 0.30400 |
Structure solution method | AB INITIO PHASING |
Starting model (for MR) | PDB code 1Q3B Crystal structure of the DNA repair enzyme endonuclease-VIII (Nei) from E. coli: The R252A mutant at 2.05 resolution. |
RMSD bond length | 0.007 |
RMSD bond angle | 1.300 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.330 |
High resolution limit [Å] | 2.300 | 2.290 |
Rmerge | 0.062 | 0.487 |
Number of reflections | 17458 | |
Completeness [%] | 91.7 | 88.2 |
Redundancy | 3.24 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 288 | 25% PEG 400, 0.1M Tris-HCl pH 8.0, 0.2M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 288K |