5KIC
Long-sought stabilization of berkelium(IV) in solution: An anomaly within the heavy actinide series
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-15 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 119.574, 119.574, 108.839 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.700 |
| R-factor | 0.20727 |
| Rwork | 0.205 |
| R-free | 0.24199 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1l6m |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.683 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.072 | 0.723 |
| Number of reflections | 24695 | |
| <I/σ(I)> | 42.9 | 3.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 8.3 | 8.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | NaCl, Li2SO4,Acetate, Ammonium Sulfate |
