4ZHH

Siderocalin-mediated recognition and cellular uptake of actinides

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	2014-03-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	110.683, 115.320, 120.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.040
R-factor	0.1755
Rwork	0.174
R-free	0.19850
RMSD bond length	0.009
RMSD bond angle	1.247
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	2.080
High resolution limit [Å]	2.040	5.540	2.040
Rmerge	0.071	0.046	0.208
Total number of observations	473803
Number of reflections	98255
<I/σ(I)>	16.9
Completeness [%]	99.2	98.2	93.2
Redundancy	4.8	4.6	4.6

Crystallization Conditions

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