4ZH8

Factor Xa complex with GTC000006

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	2001-02-08
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	56.663, 72.781, 80.454
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.800
R-factor	0.2089
Rwork	0.206
R-free	0.25530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezq
RMSD bond length	0.011
RMSD bond angle	1.337
Data reduction software	DENZO (1.96.2)
Data scaling software	SCALEPACK (1.96.2)
Phasing software	REFMAC (5.5.0109)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.116	0.066	0.683
Total number of observations	97671
Number of reflections	29515
<I/σ(I)>	7.9
Completeness [%]	92.3	98.3	63.4
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	16-20% PEG 6K, 50 mM Mes=NaOH pH 5.7-6.0, 5 mM CaCl2 and 50 mM NaCl