1QL8

FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	287
Detector technology	IMAGE PLATE
Collection date	1998-07-15
Detector	R-AXIS IV
Spacegroup name	I 21 3
Unit cell lengths	125.810, 125.810, 125.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 3.000
R-factor	0.19
Rwork	0.190
Structure solution method	OTHER
RMSD bond length	0.007
RMSD bond angle	24.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.147	0.543
Number of reflections	7494
<I/σ(I)>	6.4
Completeness [%]	99.9	99.6
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	7		0.1M IMIDAZOLE PH7.0, 0.3M AMMONIUM SULPHATE, 30% PEG8K, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	inhibitor	2 (mg/ml)
3	1	reservoir	imidazole	0.1 (M)	pH7
4	1	reservoir	ammonium sulfate	0.3 (M)
5	1	reservoir	PEG8000	30 (%)