4AZ2

Human thrombin - inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	ELLIOTT GX-21
Temperature [K]	15
Detector technology	AREA DETECTOR
Collection date	1994-01-06
Detector	MULTIWIRE XENTRONICS
Wavelength(s)	1.5418
Spacegroup name	P 43 21 2
Unit cell lengths	90.800, 90.800, 132.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	17.980 - 2.600
R-factor	0.14329
Rwork	0.141
R-free	0.19004
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN HOUSE STRUCTURES
RMSD bond length	0.011
RMSD bond angle	1.527
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	REFMAC (5.7.0025)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.700
High resolution limit [Å]	2.600	2.600
Rmerge	0.050
Number of reflections	16462
Completeness [%]		65
Redundancy	2.83

Crystallization Conditions

crystal ID	method	pH	temperature	details
1