1YGC

Short Factor VIIa with a small molecule inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2001-06-13
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	95.220, 95.220, 116.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.150 - 2.000
R-factor	0.189
Rwork	0.188
R-free	0.20500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNX (2000.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.000
Rmerge	0.066
Number of reflections	34943
<I/σ(I)>	7.3
Completeness [%]	95.0
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	ammonium sulfate, glycerol, PEG 400, Calcium ion, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K