4Y76

Factor Xa complex with GTC000401

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	2001-06-27
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	56.648, 72.805, 80.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.500 - 2.000
R-factor	0.19
Rwork	0.187
R-free	0.23620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ezq
RMSD bond length	0.010
RMSD bond angle	1.361
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	REFMAC
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	35.000	35.000	2.070
High resolution limit [Å]	2.000	4.310	2.000
Rmerge	0.064	0.030	0.462
Total number of observations	91250
Number of reflections	22803
<I/σ(I)>	11.8
Completeness [%]	99.7	98.9	98.5
Redundancy	4.04		3.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.75	293	18% PEG 6000, 100 mm MES PH 5.75, 10 mm calcium chloride