1E03

PLASMA ALPHA ANTITHROMBIN-III AND PENTASACCHARIDE

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	IMAGE PLATE
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	70.511, 87.071, 97.349
Unit cell angles	90.00, 108.88, 90.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.199 *
Rwork	0.199
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1azx
RMSD bond length	0.009
RMSD bond angle	0.022
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]	2.900
Rmerge	0.124
Number of reflections	23386
<I/σ(I)>	5.2
Completeness [%]	94.2
Redundancy	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.4 *		5MG/ML 1:1 MIX OF INHIBITORY: LATENT ANTITHROMBIN-III 16% PEG 4000, 63 MM NACACODYLATE PH 7.0, 0.05% AZIDE

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)