1N3C
Structural and biochemical exploration of a critical amino acid in human 8-oxoguanine glycosylase
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 | 92.255, 92.255, 210.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 * - 2.700 |
| R-factor | 0.225 |
| Rwork | 0.225 |
| R-free | 0.27000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ebm |
| RMSD bond length | 0.006 |
| RMSD bond angle | 21.200 * |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.870 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.137 | 0.526 |
| Total number of observations | 88563 * | |
| Number of reflections | 14671 | |
| <I/σ(I)> | 15 | 3.9 |
| Completeness [%] | 92.6 | 90.1 |
| Redundancy | 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 | ||
| 4 | 1 | 2 | PEG 8000 | ||
| 5 | 1 | 2 | calcium acetate |
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 (%) |
