5X5P

Human serum transferrin bound to ruthenium NTA

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	2014-09-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.14026
Spacegroup name	C 2 2 21
Unit cell lengths	136.748, 158.395, 106.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.255 - 2.700
R-factor	0.1708
Rwork	0.168
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qyt
RMSD bond length	0.013
RMSD bond angle	1.209
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.750
High resolution limit [Å]	2.700	7.320	2.700
Rmerge	0.125	0.117	0.636
Rmeas	0.133	0.124	0.676
Rpim	0.044	0.041	0.226
Total number of observations	298701
Number of reflections	32206
<I/σ(I)>	7
Completeness [%]	100.0	100	100
Redundancy	9.3	8.8	8.8
CC(1/2)		0.984	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	298	PIPES-Na 100mM pH 6.6, disodium malonate 8mM, PEG 3350 18%, glycerol 17%