7KGU

Structure of 2Q1-Fab, an antibody selective for IDH2R140Q-HLA-B*07:02

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	OTHER
Temperature [K]	277
Detector technology	PIXEL
Collection date	2019-10-04
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.92009
Spacegroup name	P 1 21 1
Unit cell lengths	38.462, 263.955, 91.237
Unit cell angles	90.00, 99.53, 90.00

Refinement procedure

Resolution	45.530 - 2.400
R-factor	0.2111
Rwork	0.208
R-free	0.26860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uj9
RMSD bond length	0.012
RMSD bond angle	1.812
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.530	45.530	2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.096	0.035	0.468
Rmeas	0.118	0.043	0.592
Total number of observations	197009
Number of reflections	68740	771	4985
<I/σ(I)>	8.82	23.26	2.08
Completeness [%]	98.7	95.4	98.8
Redundancy	2.866	2.911	2.627
CC(1/2)	0.993	0.997	0.676

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M Bis-Tris pH 5.5, 25% (w/v) PEG 3350, 0.2 M ammonium sulfate