1DM4

SER195ALA MUTANT OF HUMAN THROMBIN COMPLEXED WITH FIBRINOPEPTIDE A (7-16)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	123
Detector technology	IMAGE PLATE
Collection date	1996-03-07
Detector	RIGAKU RAXIS II
Spacegroup name	I 21 3
Unit cell lengths	135.100, 135.100, 135.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 2.500
R-factor	0.169
RMSD bond length	0.016
RMSD bond angle	0.042
Phasing software	AMoRE
Refinement software	PROFFT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.750
High resolution limit [Å]	2.500	2.500
Rmerge	0.093	0.190
Total number of observations	21833 *
Number of reflections	9561
<I/σ(I)>	15
Completeness [%]	71.0	61 *
Redundancy	2.28	1.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5	277 *	1.4M SODIUM CITRATE, 1-2% ISOPROPANOL, 0.1M HEPES BUFFER, pH 7.50

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	sodium citrate	1.4 (M)
3	1	reservoir	HEPES	0.1 (M)