1MTW

FACTOR XA SPECIFIC INHIBITOR IN COMPLEX WITH BOVINE TRYPSIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	287
Detector technology	AREA DETECTOR
Collection date	1994-11
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	54.900, 61.000, 64.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 1.900
R-factor	0.169
Rwork	0.169
Structure solution method	DIFFERENCE FOURIER
RMSD bond length	0.009
RMSD bond angle	24.700 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.032	0.119
Total number of observations	25539 *
Number of reflections	16195
<I/σ(I)>	12	3
Completeness [%]	91.7	80.3
Redundancy	1.6	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	8		0.3M AMMONIUM SULFATE, PH 8.0, 30% PEG 8000

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	0.3 (M)
2	1	reservoir	PEG8000	30 (%)