1KDG
Crystal structure of the flavin domain of cellobiose dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I711 |
| Synchrotron site | MAX II |
| Beamline | I711 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1999-01-17 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.996 |
| Spacegroup name | H 3 |
| Unit cell lengths | 185.075, 185.075, 81.034 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.000 - 1.500 |
| R-factor | 0.135 |
| Rwork | 0.133 |
| R-free | 0.16900 |
| Structure solution method | MAD |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.900 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.080 | 0.451 |
| Total number of observations | 385729 * | |
| Number of reflections | 165042 | |
| <I/σ(I)> | 4.7 | 1.2 |
| Completeness [%] | 99.6 | 99.2 |
| Redundancy | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 15 * | AMMONIUM SULFATE, DIOXANE, MES, MERTHIOLATE, pH 6.5, VAPOR DIFFUSION, HANGING DROP at 288K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 2 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 3 | 1 | reservoir | dioxane | 10 (%(v/v)) | |
| 4 | 1 | reservoir | MES | 100 (mM) | pH6.5 |
