5EU4

HLA Class I antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	56.080, 57.630, 79.930
Unit cell angles	90.00, 89.81, 63.84

Refinement procedure

Resolution	43.390 - 2.120
R-factor	0.1736
Rwork	0.172
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4w
RMSD bond length	0.021
RMSD bond angle	2.067
Data reduction software	XDS
Data scaling software	Aimless (0.2.12)
Phasing software	PHASER (2.5.5)
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.390	43.390	2.180
High resolution limit [Å]	2.120	9.480	2.120
Rmerge	0.092	0.050	0.427
Rpim	0.084	0.045	0.392
Total number of observations	99386	1155	7463
Number of reflections	49667
<I/σ(I)>	6.5	14.4	2.3
Completeness [%]	97.4	93.3	96.7
Redundancy	2	2.2	2.1
CC(1/2)	0.985	0.984	0.768

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Tris pH 8.0, 15 % Glycerol, 20 % PEG 4000