1LKP
Crystal structure of Desulfovibrio vulgaris rubrerythrin all-iron(II) form, azide adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-19 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 48.344, 80.092, 100.168 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.370 - 1.640 |
| R-factor | 0.178 |
| Rwork | 0.178 |
| R-free | 0.20230 * |
| Structure solution method | Difference Fourier analysis |
| Starting model (for MR) | Rubrerythrin all-iron(II) form |
| RMSD bond length | 0.005 |
| RMSD bond angle | 19.400 * |
| 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 | 1.700 |
| High resolution limit [Å] | 1.640 | 1.640 |
| Rmerge | 0.058 | 0.186 |
| Total number of observations | 133046 * | |
| Number of reflections | 21509 * | |
| <I/σ(I)> | 46.5 | 5.1 |
| Completeness [%] | 88.6 * | 46.2 |
| Redundancy | 6.1 | 1.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 298 | deMare, F., (1996) Nature Struct. Biol., 3, 539. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | TRIZMA hydrochloride | 0.1 (M) | |
| 2 | 1 | reservoir | PEG1450 | 15 (%) | |
| 3 | 1 | reservoir | glycerol | 12 (%) |
