1LKM
Crystal structure of Desulfovibrio vulgaris rubrerythrin all-iron(III) form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 95 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-09-13 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 48.877, 80.609, 100.084 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.950 - 1.690 |
| R-factor | 0.19 |
| Rwork | 0.190 |
| R-free | 0.21020 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1RYT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 19.100 * |
| 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 | 1.750 |
| High resolution limit [Å] | 1.690 | 1.690 |
| Rmerge | 0.065 | 0.209 |
| Total number of observations | 257523 * | |
| Number of reflections | 21164 * | |
| <I/σ(I)> | 44.8 | 7.6 |
| Completeness [%] | 93.7 * | 70.6 |
| Redundancy | 12 | 4.1 |
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 (%) |
