2XN3

Crystal structure of thyroxine-binding globulin complexed with mefenamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Collection date	2007-10-11
Spacegroup name	P 21 21 2
Unit cell lengths	172.835, 41.624, 56.188
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.390 - 2.090
R-factor	0.21284
Rwork	0.210
R-free	0.25957
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2riv
RMSD bond length	0.011
RMSD bond angle	1.258
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0072)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.970	2.210
High resolution limit [Å]	2.090	2.090
Rmerge	0.090	0.320
Number of reflections	24692
<I/σ(I)>	14.5	3.3
Completeness [%]	98.2	88.5
Redundancy	5.2	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		5.4		20% PEG3350, PH 5.4