6J29

The structure of HLA-A*3003/MTB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	DIFFRACTOMETER
Collection date	2018-02-11
Detector	SDMS
Wavelength(s)	0.97774
Spacegroup name	C 1 2 1
Unit cell lengths	155.825, 79.492, 44.823
Unit cell angles	90.00, 94.04, 90.00

Refinement procedure

Resolution	44.712 - 1.600
R-factor	0.1802
Rwork	0.179
R-free	0.19660
RMSD bond length	0.013
RMSD bond angle	1.241
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Number of reflections	72173
<I/σ(I)>	0.8
Completeness [%]	99.7
Redundancy	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	0.2M Potassium Sodium Tartrate tetrahydrate, 0.1M Tri-Sodium Citrate dihydrate(pH 5.6), 2.0M Ammonium Sulfate