7S7F

STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH DOT1L(998-1006) PHOSPHOPEPTIDE

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	2020-03-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97932
Spacegroup name	P 41 21 2
Unit cell lengths	65.767, 65.767, 239.078
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.410 - 1.880
R-factor	0.17
Rwork	0.168
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rzd
RMSD bond length	0.007
RMSD bond angle	1.443
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]	29.430	1.920
High resolution limit [Å]	1.880	1.880
Rmerge	0.112	0.801
Number of reflections	43906	3074
<I/σ(I)>	14.7	3.5
Completeness [%]	99.8	97.2
Redundancy	13.2	13.4

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