3D77

Crystal structure of a pheromone binding protein mutant D35N, from Apis mellifera, soaked at pH 4.0

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2008-02-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	79.215, 83.999, 47.540
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.16309
Rwork	0.161
R-free	0.19131
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3d75
RMSD bond length	0.014
RMSD bond angle	2.211
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]	57.640	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.047	0.349
Number of reflections	17650
<I/σ(I)>	26.4	4.5
Completeness [%]	99.1	99.6
Redundancy	6.8	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4	293	1.3M ammonium sulfate, 67mM sodium citrate, 33mM SPG buffer, 8.3% PEG1500, pH5.5, crystal was soaked in the same condition at pH4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K