4ZHA

Factor Xa complex with GTC000102

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2004-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	56.516, 72.232, 79.414
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.860
R-factor	0.1974
Rwork	0.195
R-free	0.23820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezq
RMSD bond length	0.009
RMSD bond angle	1.424
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.421	46.029	1.960
High resolution limit [Å]	1.860	5.880	1.860
Rmerge	0.075	0.045	0.423
Total number of observations	143880	4463	19777
Number of reflections	27936
<I/σ(I)>	15.6	36.8	3.4
Completeness [%]	99.8	98.8	99.5
Redundancy	5.2	4.5	4.9

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