7WDA

Crystal structure LpqY in complex with Trehalose from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-26
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	C 2 2 21
Unit cell lengths	154.304, 162.135, 142.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.030 - 1.910
R-factor	0.1996
Rwork	0.199
R-free	0.21980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wcj
RMSD bond length	0.004
RMSD bond angle	0.664
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.030	1.970
High resolution limit [Å]	1.910	1.910
Rmerge	0.240	4.290
Rpim	0.070	1.300
Number of reflections	137970	13670
<I/σ(I)>	8.43	0.54
Completeness [%]	99.5	95.83
Redundancy	12.9	11.6
CC(1/2)	0.998	0.279

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	PEG