3MQ1

Crystal Structure of Dust Mite Allergen Der p 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-08
Detector	RIGAKU SATURN 92
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	46.780, 96.570, 167.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.598 - 2.800
R-factor	0.2287
Rwork	0.226
R-free	0.27890
RMSD bond length	0.001
RMSD bond angle	0.307
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Number of reflections	19292
<I/σ(I)>	15.7	2.5
Completeness [%]	98.8	98.5
Redundancy	6.4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	294	31.5% MPD, 90 mM Na/K phosphate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 294K