1K3W
Crystal structure of a trapped reaction intermediate of the DNA Repair Enzyme Endonuclease VIII with DNA
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 |
Collection date | 2001-02-26 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 43 2 2 |
Unit cell lengths | 76.030, 76.030, 164.933 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 * - 1.420 |
Rwork | 0.165 |
R-free | 0.20260 |
Starting model (for MR) | initial MODEL OF BR-URACIL-CONTAINING DNA COMPLEXED WITH ENDONUCLEASE VIII AT 2.4A RESOLUTION |
RMSD bond length | 0.013 * |
RMSD bond angle | 2.249 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 1.440 |
High resolution limit [Å] | 1.420 | 1.420 |
Rmerge | 0.080 * | 0.375 * |
Total number of observations | 471081 * | |
Number of reflections | 86586 | |
<I/σ(I)> | 8.9 | |
Completeness [%] | 95.2 | 71.4 |
Redundancy | 5.5 | 2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 6.5 | 15 * | 1.8M Ammonium-sulfate, 0.1M sodium-citrate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 50 (mM) | |
2 | 1 | drop | 5 (mM) | ||
4 | 1 | drop | 460 (mM) | ||
5 | 1 | drop | protein | 1.8-2.0 (mg/ml) | |
6 | 1 | reservoir | ammonium sulfate | 1.8 (M) | |
7 | 1 | reservoir | sodium acetate | 0.1 (M) | pH4.6-5.0 |