7S8E

STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PHOSPHOPEPTIDE AND BOUND GLYCEROL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-BM
Synchrotron site	APS
Beamline	19-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2018-11-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9794
Spacegroup name	P 41 21 2
Unit cell lengths	65.545, 65.545, 238.141
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.540 - 1.600
R-factor	0.1684
Rwork	0.168
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rzj
RMSD bond length	0.008
RMSD bond angle	1.488
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.540	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.094
Number of reflections	69841	3393
<I/σ(I)>	12.3	1.9
Completeness [%]	100.0	100
Redundancy	6.8	6.6
CC(1/2)		0.550

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