7WCJ

Crystal structure LpqY 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)	0.9762
Spacegroup name	P 41 21 2
Unit cell lengths	112.733, 112.733, 143.961
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.380 - 2.240
R-factor	0.2195
Rwork	0.218
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wda
RMSD bond length	0.004
RMSD bond angle	0.689
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]	44.380	2.300
High resolution limit [Å]	2.240	2.240
Rmerge	0.200	4.479
Rmeas	0.290
Rpim	0.050	0.910
Number of reflections	45257	4453
<I/σ(I)>	14.89	1.07
Completeness [%]	99.8	99.89
Redundancy	20	15
CC(1/2)	0.990	0.531

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	PEG