5XS3

Crystal structure of HLA Class I antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	CCD
Collection date	2016-06-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	44.210, 81.100, 117.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.2202
Rwork	0.214
R-free	0.27240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qqd
RMSD bond length	0.005
RMSD bond angle	0.789
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.084	0.196
Number of reflections	13478
<I/σ(I)>	6.96	3.62
Completeness [%]	89.0	92
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277.15	1.2M Ammonium chloride, 0.1M MES pH 6.0, 20%(w/v) PEG 6000