3Q6P

Salivary protein from Lutzomyia longipalpis. Selenomethionine derivative

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 62 2 2
Unit cell lengths	120.355, 120.355, 248.934
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	40.000 - 2.750
R-factor	0.19972
Rwork	0.197
R-free	0.26107
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.396
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.800
High resolution limit [Å]	2.750	7.450	2.750
Rmerge	0.094	0.035	0.711
Number of reflections	52208
<I/σ(I)>	15.5
Completeness [%]	100.0	99.7	100
Redundancy	12.5	11.8	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	298	10 % PEG 6000, 0.1 M sodium citrate, 6 mM Nickel chloride, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K