6MV4

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR IXa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2005-03-07
Detector	ADSC QUANTUM 4r
Wavelength(s)	0.933
Spacegroup name	I 41 2 2
Unit cell lengths	109.758, 109.758, 112.458
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.640 - 1.370
R-factor	0.178
Rwork	0.177
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2wpj
RMSD bond length	0.012
RMSD bond angle	1.230
Data reduction software	XDS ((VERSION Jun 1)
Data scaling software	autoPROC ((Version 1.1.7))
Phasing software	AMoRE
Refinement software	BUSTER (2.11.7)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.548	1.532
High resolution limit [Å]	1.370	1.370
Rmerge	0.035	0.462
Number of reflections	49105
<I/σ(I)>	26.7	2.7
Completeness [%]	68.3	12.1
Redundancy	6.9	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	15% PEG4000, 1 M NaCl, 0.2 M Ammonium Sulfate, 5 mM Calcium Chloride