7S79

STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH SYNTHETIC PHOSPHONO-MLL PEPTIDE ANALOG

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	2019-10-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97953
Spacegroup name	P 41 21 2
Unit cell lengths	65.860, 65.860, 238.857
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.250 - 1.530
R-factor	0.1707
Rwork	0.170
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rzd
RMSD bond length	0.010
RMSD bond angle	1.571
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.450	1.570
High resolution limit [Å]	1.530	1.530
Rmerge	0.049	0.717
Number of reflections	80429	5721
<I/σ(I)>	22.4	2.7
Completeness [%]	99.8	97.7
Redundancy	8.7	8.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	18-24% PEG4000, 0.1 SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE