8J5U

Crystal structure of Mycobacterium tuberculosis OppA complexed with an endogenous oligopeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	C 1 2 1
Unit cell lengths	115.643, 56.986, 101.902
Unit cell angles	90.00, 122.29, 90.00

Refinement procedure

Resolution	48.880 - 1.980
Rwork	0.181
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.18_3845: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	1.980	8.860	1.980
Rmerge	0.135	0.035	1.069
Rmeas	0.146	0.038	1.163
Number of reflections	39151	475	2853
<I/σ(I)>	10.51
Completeness [%]	99.5
Redundancy	6.4
CC(1/2)	0.997	0.999	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289.15	100 mM HEPES (pH 7.5), 24% (w/v) polyethylene glycol 1500 (PEG1500), 200 mM L-proline.