1R0J
nickel-substituted rubredoxin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 |
| Unit cell lengths | 64.331, 64.331, 32.120 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.21995 |
| Rwork | 0.219 |
| R-free | 0.24200 * |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 1iro |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.400 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.074 | 0.379 |
| Total number of observations | 8168 * | |
| Number of reflections | 3599 | |
| <I/σ(I)> | 9.7 | 2.4 |
| Completeness [%] | 91.5 | 77.3 |
| Redundancy | 1.9 | 1.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 277 * | sodium acetate, ammonium sulfate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7-20 (mg/ml) | |
| 2 | 1 | reservoir | ammonium sulfate | 50-67 (%sat) | |
| 3 | 1 | reservoir | sodium acetate | 0.05 (M) | pH4.0-4.6 |
