7S8A

STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE, CUBIC CRYSTAL FORM

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	2019-06-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	I 21 3
Unit cell lengths	147.814, 147.814, 147.814
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.010 - 2.100
R-factor	0.1611
Rwork	0.160
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rzd
RMSD bond length	0.008
RMSD bond angle	1.471
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]	29.010	2.150
High resolution limit [Å]	2.090	2.090
Rmerge	0.174	0.850
Number of reflections	31551	2471
<I/σ(I)>	10.1	2.9
Completeness [%]	99.6	95
Redundancy	11.5	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	290	35% PEG4000, 0.1M TRIS-HCL, PH 8.5, 0.2M SODIUM ACETATE, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE