6JAS

Human serum transferrin with iron citrate bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-10-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.14026
Spacegroup name	C 2 2 21
Unit cell lengths	136.567, 157.153, 107.265
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.578 - 2.501
R-factor	0.1904
Rwork	0.189
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x1b
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.2)
Refinement software	PHENIX (1.14-3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.560
High resolution limit [Å]	2.500	6.170	2.500
Rmerge	0.097	0.048	0.769
Rmeas	0.103	0.052	0.819
Rpim	0.035	0.018	0.278
Number of reflections	40122	2831	2637
<I/σ(I)>	10
Completeness [%]	100.0	99.5	100
Redundancy	8.6	8.2	8.5
CC(1/2)		0.998	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.6	298	PIPES-NaOH 0.1M pH 6.6, di-sodium malonate 8 mM, glycerol 18%, PEG3350 17%