6GGM

HLA-E*01:03 in complex with the Mtb44 peptide variant: Mtb44*P2-Phe.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 1
Unit cell lengths	60.930, 66.041, 72.104
Unit cell angles	102.30, 101.22, 109.70

Refinement procedure

Resolution	53.184 - 2.734
R-factor	0.1822
Rwork	0.180
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gh1
RMSD bond length	0.005
RMSD bond angle	0.692
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.190	7.420
High resolution limit [Å]	2.730	2.730
Rmerge	0.230
Number of reflections	25095
<I/σ(I)>	6.3
Completeness [%]	95.9
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293.5	2.0 M Ammonium Sulphate, 0.1 M MES, 1mM ZnSO4