3LC5

Selective Benzothiophine Inhibitors of Factor IXa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54179
Spacegroup name	P 21 21 21
Unit cell lengths	43.120, 65.738, 93.985
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.070 - 2.620
R-factor	0.213
Rwork	0.206
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.101
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	94.070	2.692
High resolution limit [Å]	2.620	2.620
Number of reflections	8059
<I/σ(I)>	5.1	5.1
Completeness [%]		55.27

Crystallization Conditions

crystal ID	method	pH	temperature	details
1