4AR3
Near-atomic resolution neutron crystallography on the oxidised form perdeuterated Pyrococcus furiosus rubredoxin.
Experimental procedure
| Source type | NUCLEAR REACTOR |
| Source details | ILL BEAMLINE D19 |
| Synchrotron site | ILL |
| Beamline | D19 |
| Detector technology | 5ATM 3HE, CURVED 120X30 DEGREES |
| Detector | INSTITUT LAUE LANGEVIN DETECTOR GROUP |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.360, 35.316, 43.993 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.705 - 1.050 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.23740 |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.976 |
| Data reduction software | RETREAT |
| Data scaling software | RETREAT |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 18.670 |
| High resolution limit [Å] | 1.050 |
| Rmerge | 0.080 |
| Rmeas | 0.095 |
| Number of reflections | 10521 |
| <I/σ(I)> | 10.1 |
| Completeness [%] | 93.0 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PH 6.5 |
