1EWF

THE 1.7 ANGSTROM CRYSTAL STRUCTURE OF BPI

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	93
Detector technology	CCD
Collection date	1998-02-06
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	184.320, 31.230, 80.660
Unit cell angles	90.00, 103.20, 90.00

Refinement procedure

Resolution	50.000 - 1.700
Rwork	0.198
R-free	0.25000
RMSD bond length	0.017
RMSD bond angle	25.900 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.760
High resolution limit [Å]	1.700	1.700
Rmerge	0.048	0.201
Number of reflections	47198
<I/σ(I)>	16.7
Completeness [%]	94.2	67
Redundancy	2.3	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.8	289	12 % PEG 6000, 0.2 M Mg Acetate, 0.1 M Na Cacodylate, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 16K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8.5 (mg/ml)
2	1	reservoir	PEG8000	12 (%(w/v))
3	1	reservoir	magnesium acetate	200 (mM)
4	1	reservoir	sodium cacodylate	100 (mM)