5WHK

Crystal structure of Fab fragment of antibody DX-2507 bound to FcRn-B2M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	59.560, 70.450, 256.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.429 - 2.500
R-factor	0.1722
Rwork	0.169
R-free	0.22460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3m17 5whj
RMSD bond length	0.007
RMSD bond angle	0.913
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.429	47.429	2.560
High resolution limit [Å]	2.500	11.180	2.500
Rmerge	0.072	0.024	0.629
Rmeas	0.081	0.027	0.703
Number of reflections	38312	492	2772
<I/σ(I)>	16.26	40.3	2.42
Completeness [%]	99.8	95	100
Redundancy	4.888	3.967	4.98
CC(1/2)	0.998	0.999	0.815

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	289	DX-2507 Fab FcRn B2M complex at 6.6 mg/mL at 70 uM against an optimization screen against JCSG+ A7 18% PEG 8000, 0.1 M CHES pH 9.8 with seeding from an earlier crystal obtained under similar conditions, supplemented with 20% ethylene glycol as cro-protectant