1H76

The crystal structure of diferric porcine serum transferrin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.5
Synchrotron site	SRS
Beamline	PX9.5
Temperature [K]	277
Detector technology	IMAGE PLATE
Detector	MAR scanner 300 mm plate
Spacegroup name	C 1 2 1
Unit cell lengths	223.770, 44.890, 78.860
Unit cell angles	90.00, 105.39, 90.00

Refinement procedure

Resolution	30.000 - 2.150
R-factor	0.136 *
Rwork	0.136
R-free	0.18200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	0TFD
RMSD bond length	0.010 *
RMSD bond angle	1.890 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0.32)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	23.310 *	2.200
High resolution limit [Å]	2.150	2.150
Rmerge	0.073	0.123
Total number of observations	145143 *
Number of reflections	41503
<I/σ(I)>	15.7	8.1
Completeness [%]	96.0	97.4
Redundancy	3.6	3.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	8.5	277 *	pH 8.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	120 (mg/ml)	in water
2	1	1	PEG4000	20 (%(w/v))
3	1	1		0.2 (M)
4	1	1	Tris-HCl	0.1 (M)