7TUC

Crystal structure of HLA-B*44:05 (T73C) with 9mer EEFGRAFSF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	273
Detector technology	PIXEL
Collection date	2019-02-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	50.750, 82.582, 110.890
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.030 - 1.250
R-factor	0.1799
Rwork	0.180
R-free	0.19480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1m6o
RMSD bond length	0.004
RMSD bond angle	0.806
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.030	1.295
High resolution limit [Å]	1.250	1.250
Rmerge	0.033	0.412
Rmeas	0.046	0.583
Rpim	0.033	0.412
Number of reflections	128295	11969
<I/σ(I)>	11.61	1.4
Completeness [%]	95.4	80.29
Redundancy	2	2
CC(1/2)	0.996	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	16% PEG 3350, 0.1M Tris, 0.2M Ca Acetate