1E04

PLASMA BETA ANTITHROMBIN-III

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	62.050, 99.336, 88.593
Unit cell angles	90.00, 102.29, 90.00

Refinement procedure

Resolution	20.000 - 2.600
R-factor	0.205 *
Rwork	0.205
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ant
RMSD bond length	0.007
RMSD bond angle	0.020
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.600
Rmerge	0.083
Number of reflections	32338
<I/σ(I)>	8.3
Completeness [%]	94.5
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.4 *		20MG/ML INHIBITORY ANTITHROMBIN-III IN 20MM TRIS HCL PH 7.4 CRYSTALLIZED IN 16% PEG 4000, 50 MM NA/K PHOSPHATE PH 6.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	20 (mg/ml)
2	1	1	Tris-HCl	20 (mM)
3	1	2	PEG4000	16 (%(w/v))
4	1	2	sodium potassium phosphate	50 (mM)