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 |