1G2L

FACTOR XA INHIBITOR COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Collection date	1999-03-25
Detector	MARRESEARCH
Wavelength(s)	1.05
Spacegroup name	P 21 21 21
Unit cell lengths	56.160, 72.660, 76.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.900 - 1.900
R-factor	0.237 *
Rwork	0.237
R-free	0.27200
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.007
RMSD bond angle	1.270 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.055	0.365
Total number of observations	102600 *
Number of reflections	25371
<I/σ(I)>	15.5
Completeness [%]	99.2	99.2
Redundancy	4.1	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *			Skrzypczak-Jankun, E., (1991) J. Mol. Biol., 221, 1379. *