1BZ5

EVIDENCE OF A COMMON DECAMER IN THREE CRYSTAL STRUCTURES OF BPTI, CRYSTALLIZE FROM THIOCYANATE, CHLORIDE OR SULFATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LURE BEAMLINE DW32
Synchrotron site	LURE
Beamline	DW32
Temperature [K]	292
Detector technology	IMAGE PLATE
Collection date	1997-03
Detector	MAR scanner 345 mm plate
Spacegroup name	P 63 2 2
Unit cell lengths	120.480, 120.480, 111.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.760 - 2.580
R-factor	0.19
Rwork	0.190
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6pti
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.800	2.670
High resolution limit [Å]	2.580	2.580
Rmerge	0.037 *	0.146
Total number of observations	131366 *
Number of reflections	15263
<I/σ(I)>	20.7	5.1
Completeness [%]	98.5	91.1
Redundancy	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	4.5	18 *	SODIUM ACETATE BUFFER,PH=4.5 AMMONIUM SULPHATE 1.7 - 1.9M BPTI 10 - 20 MG/ML

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	50 (mM)
2	1	drop	inhibitor	10 (mg/ml)
3	1	drop	ammonium sulfate	1.8 (M)