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