1LWW
Borohydride-trapped hOgg1 Intermediate Structure Co-Crystallized with 8-bromoguanine
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 | 2001-12-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.95 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 92.174, 92.174, 211.887 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.100 |
| Rwork | 0.236 |
| R-free | 0.25700 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1ebm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.600 * |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.101 | 0.460 * |
| Number of reflections | 31356 * | |
| <I/σ(I)> | 17.4 | 4.9 |
| Completeness [%] | 99.3 | 100 |
| Redundancy | 5.4 | 5.4 |
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 (%) |
