7PZO

mite allergen Der p 3 from Dermatophagoides pteronyssinus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-05
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.96772
Spacegroup name	C 1 2 1
Unit cell lengths	134.660, 44.650, 72.500
Unit cell angles	90.00, 102.83, 90.00

Refinement procedure

Resolution	28.580 - 2.250
R-factor	0.2066
Rwork	0.203
R-free	0.27860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3p95
RMSD bond length	0.008
RMSD bond angle	1.752
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.310
High resolution limit [Å]	2.250	2.250
Rmerge	0.152	0.532
Rmeas	0.205	0.728
Number of reflections	20151	1466
<I/σ(I)>	6.63	2.65
Completeness [%]	96.3	96.8
Redundancy	1.95	1.99
CC(1/2)	0.973	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium sulfate