6UJ7

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

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	2017-07-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.999619
Spacegroup name	P 1 21 1
Unit cell lengths	67.038, 70.670, 87.482
Unit cell angles	90.00, 107.39, 90.00

Refinement procedure

Resolution	47.430 - 1.900
R-factor	0.1846
Rwork	0.182
R-free	0.23780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3vcl
RMSD bond length	0.009
RMSD bond angle	1.569
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]	47.430	47.430	1.950
High resolution limit [Å]	1.900	8.490	1.900
Rmerge	0.068	0.038	0.615
Rmeas	0.074	0.041	0.700
Total number of observations	365739
Number of reflections	61233	730	4182
<I/σ(I)>	13.57	35.19	2.02
Completeness [%]	99.2	99.3	92.2
Redundancy	5.973	6.019	4.277
CC(1/2)	0.999	0.999	0.733

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	292	0.1 M Hepes pH 7.5, 0.2 M NaCl, 25% PEG4000