2P9W

Crystal Structure of the Major Malassezia sympodialis Allergen Mala s 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-03-04
Detector	MAR scanner 180 mm plate
Spacegroup name	P 21 21 2
Unit cell lengths	44.480, 164.000, 50.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.500 - 1.350
R-factor	0.139
Rwork	0.139
R-free	0.15300
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.576
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.350
High resolution limit [Å]	1.300	2.800	1.300
Rmerge	0.062	0.055	0.608
Number of reflections	91336
<I/σ(I)>	10.9
Completeness [%]	99.5	99.5	99.2
Redundancy	4.4	10.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	25% PEG 8K, 0.2 M (NH4)2SO4, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K