1LWY
hOgg1 Borohydride-Trapped Intermediate without 8-oxoguanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-04-09 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.93 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 92.032, 92.032, 211.310 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 * - 2.000* |
Rwork | 0.222 |
R-free | 0.25800 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1ebm |
RMSD bond length | 0.006 * |
RMSD bond angle | 1.150 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 * | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.071 | 0.530 * |
Number of reflections | 35610 * | |
<I/σ(I)> | 23.1 | 2.8 |
Completeness [%] | 99.5 | 99.7 |
Redundancy | 4.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 * | 4 * | Bruner, S.D., (2000) Nature, 403, 859. * |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | sodium cacodylate | ||
2 | 1 | 1 | calcium acetate | ||
3 | 1 | 1 | PEG 8000 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | Tris-HCl | 20 (mM) | |
2 | 1 | drop | 100 (mM) | ||
3 | 1 | drop | EDTA | 1 (mM) | |
4 | 1 | drop | dithiothreitol | 10 (mM) | |
5 | 1 | reservoir | sodium cacodylate | 100 (mM) | |
6 | 1 | reservoir | calcium acetate | 200 (mM) | |
7 | 1 | reservoir | PEG8000 | 17-18 (%) |