3QYT

Diferric 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	2010-06-28
Detector	RAYONIX MX-225
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	73.845, 90.435, 112.299
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.070 - 2.800
R-factor	0.20958
Rwork	0.206
R-free	0.27498
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hav 1jnf
RMSD bond length	0.008
RMSD bond angle	1.154
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC

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	0.106	0.047	0.524
Number of reflections	17765
<I/σ(I)>	9.2
Completeness [%]	92.9	89	77.4
Redundancy	5.5	6.4	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	271	0.01M HEPES, 15% PEG3000, pH 7.4, vapor diffusion, sitting drop, temperature 271K