4ZHC

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	2014-02-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	114.657, 114.657, 119.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.040
R-factor	0.2074
Rwork	0.206
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lm6
RMSD bond length	0.005
RMSD bond angle	0.899
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	REFMAC (5.8.0049)
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	0.097	0.049	0.488
Total number of observations	488919
Number of reflections	51169
<I/σ(I)>	19.2
Completeness [%]	99.7	97.6	97
Redundancy	9.6	8.7	8.7

Crystallization Conditions

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