1F0R

CRYSTAL STRUCTURE OF HUMAN COAGULATION FACTOR XA COMPLEXED WITH RPR208815

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	1998-07-17
Detector	MAC Science DIP-2000
Spacegroup name	P 21 21 21
Unit cell lengths	56.510, 72.228, 77.912
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.211 *
Rwork	0.216
R-free	0.26000 *
RMSD bond length	0.018
RMSD bond angle	27.980 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	X-PLOR
Refinement software	X-PLOR (98.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.046	0.267
Number of reflections	25914
<I/σ(I)>	9.6
Completeness [%]	99.5	99
Redundancy	3.5	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6 *	19 *	18-22%PEG 600, 50mM Mes-NaOH, pH 5.7, VAPOR DIFFUSION, HANGING DROP, temperature 292K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	drop	MES-NaOH	5 (mM)
3	1	drop		5 (mM)
4	1	drop	unit	0.001 (mM)
5	1	reservoir	PEG600	18-20 (%)
6	1	reservoir	MES- NaOH	50 (mM)