4X1D

Ytterbium-bound human serum transferrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	C 1 2 1
Unit cell lengths	156.502, 136.863, 107.843
Unit cell angles	90.00, 90.41, 90.00

Refinement procedure

Resolution	50.000 - 2.800
R-factor	0.1998
Rwork	0.198
R-free	0.23070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyt
RMSD bond length	0.010
RMSD bond angle	1.391
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.900
High resolution limit [Å]	2.800	6.030	2.800
Rmerge	0.090	0.038	0.763
Rmeas	0.103	0.043	0.876
Rpim	0.050	0.021	0.427
Total number of observations	235196
Number of reflections	56472
<I/σ(I)>	8.7
Completeness [%]	99.7	98.4	99.9
Redundancy	4.2	4.2	4.1
CC(1/2)		0.995	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	0.1M PIPES, 17% PEG3350, 18% Glycerol