6UJ9

Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-15
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9201
Spacegroup name	P 1 21 1
Unit cell lengths	83.605, 42.006, 125.180
Unit cell angles	90.00, 92.75, 90.00

Refinement procedure

Resolution	48.930 - 2.900
R-factor	0.2173
Rwork	0.214
R-free	0.28680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6df0 6uj7
RMSD bond length	0.007
RMSD bond angle	1.539
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.8.3)
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.930	48.930	2.980
High resolution limit [Å]	2.900	12.970	2.900
Rmerge	0.150	0.055	0.561
Rmeas	0.180	0.068	0.678
Total number of observations	60383
Number of reflections	19451	234	1406
<I/σ(I)>	6.48	13.21	2.03
Completeness [%]	98.1	90	96.4
Redundancy	3.104	2.889	2.954
CC(1/2)	0.980	0.992	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	292	0.1 M CHES, 20% PEG8000