9BEX

X-ray crystallography structural model of the immunoglobulin G1 (IgG1) Fc D270C K326C variant

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-03-01
Detector	DECTRIS PILATUS 12M
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	50.023, 79.740, 142.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.502 - 2.250
Rwork	0.242
R-free	0.30170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.655
Data reduction software	HKL-2000
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.502	2.340
High resolution limit [Å]	2.250	2.250
Rmerge	0.079	0.445
Rmeas	0.101	0.598
Rpim	0.062	0.395
Number of reflections	46261	3716
<I/σ(I)>	9.27	1.11
Completeness [%]	88.5	52.3
Redundancy	2.2	1.4
CC(1/2)	0.993	0.641

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1M HEPES pH 7.5, 10% PEG 3350