8KME

CRYSTAL STRUCTURE OF HUMAN ALPHA-THROMBIN INHIBITED WITH SEL2770.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-02
Spacegroup name	C 1 2 1
Unit cell lengths	71.660, 72.000, 73.450
Unit cell angles	90.00, 101.20, 90.00

Refinement procedure

Resolution	9.000 - 2.100
R-factor	0.167 *
Rwork	0.167
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1hah
RMSD bond length	0.015
RMSD bond angle	0.030
Refinement software	PROFFT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.300
High resolution limit [Å]	2.100	2.100
Rmerge	0.049	0.143
Total number of observations	24962 *
Number of reflections	13507
<I/σ(I)>		2.3
Completeness [%]	60.0	37
Redundancy	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.3		drop consists of equal volume of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3.5 (mg/ml)
2	1	reservoir	PEG8000	28 (%)
3	1	reservoir	sodium phosphate	0.1 (M)