7MLH

Crystal structure of human IgE (2F10) in complex with Der p 2.0103

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	PIXEL
Collection date	2020-05-29
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	51.776, 231.458, 51.791
Unit cell angles	90.00, 94.34, 90.00

Refinement procedure

Resolution	38.606 - 2.100
Rwork	0.210
R-free	0.24660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ktj 6oy4
RMSD bond length	0.010
RMSD bond angle	1.540
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.140
High resolution limit [Å]	2.097	2.100
Rmerge	0.097	0.428
Rmeas	0.113	0.509
Rpim	0.058	0.269
Number of reflections	68319	3025
<I/σ(I)>	16.9	1.9
Completeness [%]	96.6	86.3
Redundancy	3.6	3.1
CC(1/2)	0.987	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	293	Index A1, Salt: None; Buffer: 0.1M Citric acid pH 3.5; Precipitant: 2.0M Ammonium sulfate