7RZJ

CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) 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	2019-12-10
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
Unit cell lengths	65.719, 65.719, 238.484
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.190 - 1.800
R-factor	0.1673
Rwork	0.166
R-free	0.21670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7rzd
RMSD bond length	0.009
RMSD bond angle	1.368
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.123	1.008
Number of reflections	48784	2900
<I/σ(I)>	11.7	2.4
Completeness [%]	100.0	99.8
Redundancy	10.8	10.3

Crystallization Conditions

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