2ANT

THE 2.6 A STRUCTURE OF ANTITHROMBIN INDICATES A CONFORMATIONAL CHANGE AT THE HEPARIN BINDING SITE

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Collection date	1995-04-19
Spacegroup name	P 1 21 1
Unit cell lengths	61.410, 98.310, 90.410
Unit cell angles	90.00, 103.32, 90.00

Refinement procedure

Resolution	26.900 - 2.600
Rwork	0.217
R-free	0.29900 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ant
RMSD bond length	0.090
RMSD bond angle	20.053 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	TNT (5D)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.800
High resolution limit [Å]	2.600	2.620
Rmerge	0.048
Number of reflections	24646
Completeness [%]	74.0	53.9
Redundancy	1.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8 *	4 *	18% PEG 4000 50 MM NA/KPO4 PH 6.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	20 (mM)
3	1	reservoir	PEG4000	18-20 (%(w/v))
4	1	reservoir	sodium potassium phosphate	50 (mM)
5	1	reservoir		0.05 (%(w/v))