4ZFX

Siderocalin-mediated recognition and cellular uptake of actinides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-13
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	114.530, 114.530, 119.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.550
R-factor	0.2412
Rwork	0.240
R-free	0.26810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lm6
RMSD bond length	0.011
RMSD bond angle	1.448
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.550	6.920	2.550
Rmerge	0.082	0.046	0.490
Total number of observations	200751
Number of reflections	26474
<I/σ(I)>	17.5
Completeness [%]	99.7	96.4	100
Redundancy	7.6	6.6	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4	298	NaCl, Li2SO4, Acetate, Ammonium Sulfate