7RZD

CRYSTAL STRUCTURE OF HLA-B*07:02 IN COMPLEX WITH MLL(747-755) PEPTIDE

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)	0.97932
Spacegroup name	P 41 21 2
Unit cell lengths	65.897, 65.897, 238.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.470 - 1.820
R-factor	0.1812
Rwork	0.179
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5wmn
RMSD bond length	0.007
RMSD bond angle	1.454
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]	29.490	1.860
High resolution limit [Å]	1.820	1.820
Rmerge	0.068	0.823
Number of reflections	48758	2890
<I/σ(I)>	22.8	3.8
Completeness [%]	99.9	98.5
Redundancy	14.6	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	18-24%PEG4000, 0.1M SODIUM CITRATE, 20% ISOPROPANOL, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 291K