7XF3

The structure of HLA-B*1501/BM58-66AF9

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	51.103, 82.060, 109.231
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.700 - 1.910
R-factor	0.1855
Rwork	0.183
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5txs
RMSD bond length	0.007
RMSD bond angle	0.871
Phasing software	PHASES
Refinement software	PHENIX (1.12)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge		0.100
Number of reflections	36034	36034
<I/σ(I)>	22.22
Completeness [%]	98.8
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	20% w/v PEG 2000, 0.1M MES