3D74

Crystal structure of a pheromone binding protein mutant D35A, from Apis mellifera, soaked at pH 5.5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-01-21
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.542
Spacegroup name	P 21 21 2
Unit cell lengths	61.133, 60.769, 56.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.100
R-factor	0.17886
Rwork	0.175
R-free	0.22921
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3d73
RMSD bond length	0.012
RMSD bond angle	1.469
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]	30.390	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.066	0.290
Number of reflections	12708
<I/σ(I)>	14.5	4.3
Completeness [%]	99.8	100
Redundancy	3.9	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	2.1M ammonium sulfate, 0.2M di-ammonium phosphate, 20mM di-sodium phosphate, pH7.0, crystal was soaked in the same condition at pH5.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K