7P49

HLA-E*01:03 in complex with Mtb14

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	2018-07-11
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	245.150, 47.926, 152.445
Unit cell angles	90.00, 117.45, 90.00

Refinement procedure

Resolution	57.160 - 2.050
R-factor	0.2394
Rwork	0.237
R-free	0.27910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6gl1
RMSD bond length	0.003
RMSD bond angle	0.560
Data reduction software	xia2
Data scaling software	xia2
Phasing software	MOLREP
Refinement software	REFMAC (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.160	2.124
High resolution limit [Å]	2.050	2.050
Number of reflections	99611	9754
<I/σ(I)>	9.7
Completeness [%]	99.0
Redundancy	12.7
CC(1/2)	0.990	0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	3 M AS, 0.1 M MES pH 6