6OY4

Crystal structure of complex between recombinant Der p 2.0103 and Fab fragment of 7A1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-16
Detector	RAYONIX MX300-HS
Wavelength(s)	1.0000
Spacegroup name	C 1 2 1
Unit cell lengths	180.094, 43.336, 105.935
Unit cell angles	90.00, 125.29, 90.00

Refinement procedure

Resolution	40.000 - 2.450
R-factor	0.20583
Rwork	0.203
R-free	0.26003
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ktj 3rvt
RMSD bond length	0.011
RMSD bond angle	1.436
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.490
High resolution limit [Å]	2.450	2.450
Rmerge	0.114	0.528
Rmeas	0.133	0.547
Rpim	0.074	0.325
Number of reflections	23826	1143
<I/σ(I)>	14.5	2.2
Completeness [%]	94.7	92.4
Redundancy	3	2.4
CC(1/2)		0.628

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	298	100 mM Bis-Tris, 200 mM ammonium acetate, 30-55% 2-methyl-2,4-pentanediol at pH 6.5 (well solution)