1IU6
Neutron Crystal Structure of the rubredoxin mutant from Pyrococcus Furiosus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | NUCLEAR REACTOR |
| Source details | JRR-3M BEAMLINE 1G-A |
| Synchrotron site | JRR-3M |
| Beamline | 1G-A |
| Temperature [K] | 299 |
| Detector technology | DIFFRACTOMETER |
| Collection date | 2000-11-15 |
| Wavelength(s) | 2.345 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.480, 35.700, 43.160 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.600 |
| Rwork | 0.201 |
| R-free | 0.23000 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.600 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.091 | 0.254 |
| Total number of observations | 19385 * | |
| Number of reflections | 6584 | |
| <I/σ(I)> | 19.5 | |
| Completeness [%] | 87.5 | 66 |
| Redundancy | 2.9 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 8 * | used macroseeding, Bau, R., (1998) J.BIOL.INORG.CHEM., 3, 484. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 40 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 50 (mM) | |
| 3 | 1 | drop | 0.3 (M) | ||
| 4 | 1 | reservoir | sodium potassium phosphate | 3.6 (M) |
