5EU3

HLA Class I antigen

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-08-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9763
Spacegroup name	P 1 21 1
Unit cell lengths	52.810, 80.370, 56.060
Unit cell angles	90.00, 112.79, 90.00

Refinement procedure

Resolution	45.250 - 1.970
R-factor	0.2
Rwork	0.197
R-free	0.25490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4i4w
RMSD bond length	0.019
RMSD bond angle	1.961
Data reduction software	XDS
Data scaling software	Aimless (0.2.12)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0131)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.250	45.250	2.020
High resolution limit [Å]	1.970	8.810	1.970
Rmerge	0.141	0.050	0.731
Rpim	0.087	0.030	0.468
Total number of observations	99442	1218	7056
Number of reflections	30103
<I/σ(I)>	7.2	18.3	1.9
Completeness [%]	98.5	97.9	99.3
Redundancy	3.3	3.4	3.1
CC(1/2)	0.970	0.994	0.601

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 M Hepes pH 7.5, 0.2 M Ammonium Sulphate, 25 % PEG 4000