3D68

Crystal structure of a T325I/T329I/H333Y/H335Q mutant of Thrombin-Activatable Fibrinolysis Inhibitor (TAFI-IIYQ)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-06
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97295
Spacegroup name	P 31 2 1
Unit cell lengths	159.460, 159.460, 139.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.030 - 2.800
R-factor	0.18976
Rwork	0.188
R-free	0.23156
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3d66
RMSD bond length	0.018
RMSD bond angle	1.871
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.3.0008)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.030	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.067	0.600
Number of reflections	50644
<I/σ(I)>	13.8	2.1
Completeness [%]	100.0	100
Redundancy	4.3	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6	277	16-18% PEG 3000, 0.18-0.22mM Na/K-tartrate, 50mM L-glutamate, 50mM L-arginine, pH 6.0, VAPOR DIFFUSION, temperature 277K