1SQY

Structure of human diferric lactoferrin at 2.5A resolution using crystals grown at pH 6.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	2003-07-16
Detector	RIGAKU
Wavelength(s)	1.5414
Spacegroup name	P 21 21 21
Unit cell lengths	56.156, 98.090, 157.036
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.730 - 2.500
R-factor	0.2044
Rwork	0.204
R-free	0.21517
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1b0l
RMSD bond length	0.013
RMSD bond angle	1.728
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.560
High resolution limit [Å]	2.500	2.500
Number of reflections	30469
<I/σ(I)>	9.9	2.5
Completeness [%]	96.8	93
Redundancy	12.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICRODIALYSIS	6.5	277	Ethanol, Tris-HCL, pH 6.5, MICRODIALYSIS, temperature 277K