3CZ1

Dimeric crystal structure of a pheromone binding protein from Apis mellifera in complex with the n-butyl benzene sulfonamide at pH 7.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-09-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	35.413, 75.652, 84.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.15331
Rwork	0.152
R-free	0.19844
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3cyz
RMSD bond length	0.013
RMSD bond angle	1.601
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC (5.2.0019)
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.250	1.580
High resolution limit [Å]	1.500	1.500
Rmerge	0.078	0.301
Number of reflections	36737
<I/σ(I)>	12.7	3.7
Completeness [%]	99.4	100
Redundancy	3.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9	293	0.2M magnesium chloride, 0.1M Tris, 15% PEG8000, pH6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K