7FFU

Osmium-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	2016-03-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.14026
Spacegroup name	C 2 2 21
Unit cell lengths	137.831, 156.729, 107.313
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.852 - 2.601
R-factor	0.1989
Rwork	0.197
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x1b
Data reduction software	HKL-2000 (1.0)
Data scaling software	SCALEPACK
Phasing software	PHASER (2.7)
Refinement software	PHENIX (1.14_3260:000)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.660
High resolution limit [Å]	2.600	6.410	2.600
Rmerge	0.091	0.048	0.850
Rmeas	0.095	0.050	0.880
Rpim	0.025	0.013	0.226
Number of reflections	35884	2536	2344
<I/σ(I)>	10.4
Completeness [%]	100.0	99.4	100
Redundancy	14.8	14	15
CC(1/2)		0.998	0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.6	298	PIPES-NaOH 0.1M pH 6.6, disodium malonate 8mM, glycerol 18%, PEG 3350 17%