6UJ8

Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-11
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979321
Spacegroup name	P 1 21 1
Unit cell lengths	67.690, 70.480, 88.146
Unit cell angles	90.00, 107.65, 90.00

Refinement procedure

Resolution	47.580 - 2.250
R-factor	0.2179
Rwork	0.216
R-free	0.25990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6uj7
RMSD bond length	0.008
RMSD bond angle	1.532
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.580	47.580	2.310
High resolution limit [Å]	2.250	10.060	2.250
Rmerge	0.096	0.038	0.655
Rmeas	0.107	0.043	0.735
Total number of observations	191270
Number of reflections	37664	452	2773
<I/σ(I)>	10.44	25.79	2.13
Completeness [%]	99.7	98.7	99.7
Redundancy	5.078	4.962	4.66
CC(1/2)	0.996	0.996	0.766

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	292	0.1 M MES pH 6.5, 0.2 M KI, 30% PEG4000