5N6B

Human Leukocyte Antigen Class I A02 Carrying LLWNPGMAV

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	2016-03-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97626
Spacegroup name	P 21 21 2
Unit cell lengths	118.090, 168.990, 49.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	96.800 - 1.710
R-factor	0.18423
Rwork	0.183
R-free	0.21448
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5eu5
RMSD bond length	0.018
RMSD bond angle	1.897
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	96.800	1.750
High resolution limit [Å]	1.710	1.710
Rmerge	0.094
Rmeas	0.094	1.335
Rpim	0.055
Number of reflections	107271
<I/σ(I)>	11.9	1.5
Completeness [%]	100.0	100
Redundancy	7.3
CC(1/2)	0.998	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M ammonium sulphate, 0.1M HEPES pH7, 20% PEG 4000