5Y6K

Human serum trnasferrin bound to a fluorescent probe

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	2014-09-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93001
Spacegroup name	C 2 2 21
Unit cell lengths	138.012, 155.752, 107.554
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.290 - 2.860
R-factor	0.1576
Rwork	0.154
R-free	0.23520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4x1b
RMSD bond length	0.013
RMSD bond angle	1.381
Data reduction software	HKL-2000
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]	103.290	103.290	2.950
High resolution limit [Å]	2.850	6.140	2.850
Rmerge	0.078	0.029	0.794
Rmeas	0.084	0.031	0.848
Rpim	0.029	0.011	0.296
Number of reflections	27148	2801	2696
<I/σ(I)>	9.8
Completeness [%]	99.7	97.6	100
Redundancy	8	7.6	8.1
CC(1/2)		0.996	0.905

Crystallization Conditions

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