7YG3

Crystal structure of HLA-B*13:01

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	298.15
Detector technology	CCD
Collection date	2016-06-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.987
Spacegroup name	P 21 21 21
Unit cell lengths	50.297, 82.768, 110.442
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.940 - 1.500
R-factor	0.176
Rwork	0.175
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jqx
RMSD bond length	0.006
RMSD bond angle	1.109
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.530
High resolution limit [Å]	1.500	1.500
Number of reflections	2150046	2837
<I/σ(I)>	3.5
Completeness [%]	99.8	98.2
Redundancy	6.5	12.5
CC(1/2)	0.992	0.932

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	0.1 M HEPES pH 6.5, 20% PEG 4000, 0.2 M NaCl