1HU0
CRYSTAL STRUCTURE OF AN HOGG1-DNA BOROHYDRIDE TRAPPED INTERMEDIATE COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-08-12 |
| Detector | CUSTOM-MADE |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 91.988, 91.988, 211.615 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 * - 2.350 |
| R-factor | 0.21 |
| Rwork | 0.210 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ebm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.200 |
| 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 | 2.430 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Rmerge | 0.090 * | 0.580 * |
| Number of reflections | 22928 | |
| <I/σ(I)> | 18.4 | 2.32 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4 * | Bruner, S.D., (2000) Nature, 403, 859. * |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | PEG 8000 | ||
| 2 | 1 | 1 | calcium acetate | ||
| 3 | 1 | 1 | sodium cacodylate |
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 (%) |
