6LH6

Crystal structure of a double headed Bowman-birk protease inhibitor protein from chickpea.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	93
Detector technology	CCD
Collection date	2009-12-09
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95
Spacegroup name	P 21 2 21
Unit cell lengths	36.482, 40.429, 102.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.722 - 1.400
R-factor	0.1773
Rwork	0.176
R-free	0.19410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pbi
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.300	1.450
High resolution limit [Å]	1.400	1.400
Rmerge	0.013	0.066
Rmeas	0.019	0.093
Rpim	0.013	0.066
Number of reflections	30643	2986
<I/σ(I)>	33.8	10.5
Completeness [%]	99.9	99.67
Redundancy	2	2
CC(1/2)		0.987

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.2	293	0.1M citrate phosphate buffer pH 4.2, 40% ethanol, 5% PEG 1000