4ZHD

Siderocalin-mediated recognition and cellular uptake of actinides

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	114.589, 114.589, 118.781
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.050
R-factor	0.2047
Rwork	0.204
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lm6
RMSD bond length	0.008
RMSD bond angle	1.146
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	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.063	0.037	0.368
Total number of observations	472916
Number of reflections	49864
<I/σ(I)>	22.1
Completeness [%]	99.1	95.8	95.3
Redundancy	9.5	8.9	7.3

Crystallization Conditions

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