2BZ6

Orally available Factor7a inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM1A
Synchrotron site	ESRF
Beamline	BM1A
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2000-02-25
Detector	MARRESEARCH MAR300
Spacegroup name	P 41 21 2
Unit cell lengths	94.930, 94.930, 115.640
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	73.320 - 1.600
R-factor	0.168
Rwork	0.166
R-free	0.19300
Structure solution method	OTHER
RMSD bond length	0.012
RMSD bond angle	1.462
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.600
High resolution limit [Å]	1.500	1.500
Rmerge	0.120	0.810
Number of reflections	69242
<I/σ(I)>	10.15	1.78
Completeness [%]	81.6	36.5
Redundancy	7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.5		35%AS, 2%PEG400, 100MM BICINE PH8.5, 15% GLYCEROL, pH 8.50