1TFH

EXTRACELLULAR DOMAIN OF HUMAN TISSUE FACTOR

Experimental procedure

Source type	ROTATING ANODE
Source details	ELLIOTT GX-18
Temperature [K]	297
Detector technology	AREA DETECTOR
Collection date	1994-12
Detector	SIEMENS
Spacegroup name	P 21 21 21
Unit cell lengths	64.393, 85.828, 112.901
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	8.000 - 2.400
R-factor	0.217
Rwork	0.217
R-free	0.29700
Structure solution method	MULTIPLE ISOMORPHOUS REPLACEMENT + MOLECULAR REPLACEMENT
Starting model (for MR)	C ALPHA COORDINATES OF PDB ENTRY 1BOY
RMSD bond length	0.013
RMSD bond angle	27.100 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	AMoRE
Refinement software	XTALVIEW

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.000	2.420
High resolution limit [Å]	2.270	2.270
Rmerge	0.073 *	0.436 *
Total number of observations	64590 *
Number of reflections	26432
<I/σ(I)>	21	1.5
Completeness [%]	90.0	52.6
Redundancy	2.4	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	6.5 *	278	CRYSTAL CAN BE GROWN FROM 20MM PHOSPHATE BUFFER, PH 6.5, AT A 40MG/ML PROTEIN CONCENTRATION. THE CRYSTALS USED FOR DIFFRACTION STUDIES WERE IN FACT CRYSTALLIZED UNEXPECTEDLY IN 2 DAYS IN AN NMR TUBE CONTAINING A SOLUTION OF APPROXIMATELY 3.5MM OF UNIFORMLY 15N-ENRICHED (~99 ATOM%) TISSUE FACTOR (AT ~85 MG/ML) IN 20MM KNA2PO4, 0.02%NAN3, 10% D2O AND 90% H2O, PH 7.0 AT 5 DEGREE., temperature 278K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	phosphate	20 (mM)
2	1	1	protein	40 (mg/ml)