5AI2
Anomalous Neutron phased crystal structure of 113Cd-substituted Perdeuterated Pyrococcus furiosus rubredoxin to 1.75A resolution at 295K
Experimental procedure
| Source type | NUCLEAR REACTOR |
| Source details | ILL |
| Synchrotron site | ILL |
| Beamline | D19 |
| Temperature [K] | 295 |
| Detector technology | 5ATM 3HE, CURVED 120X30 DEGREES |
| Collection date | 2014-12-01 |
| Detector | INSTITUT LAUE LANGEVIN DETECTOR GROUP |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.440, 34.140, 43.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.068 - 1.750 |
| R-factor | 0.2357 |
| Rwork | 0.233 |
| R-free | 0.28640 |
| Structure solution method | EXPERIMENTAL ANOMALOUS NEUTRON PHASING |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.613 |
| Data reduction software | RETREAT |
| Data scaling software | RETREAT |
| Phasing software | SHELXCD |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.440 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.140 | 0.457 |
| Number of reflections | 5560 | |
| <I/σ(I)> | 5.4 | |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.4 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | PH 6.5 |
