6E5D

Crystal structure of LpqN involved in cell envelope biogenesis of Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	80
Detector technology	PIXEL
Collection date	2018-06-20
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	99.309, 55.521, 44.614
Unit cell angles	90.00, 103.89, 90.00

Refinement procedure

Resolution	48.112 - 1.650
R-factor	0.1868
Rwork	0.186
R-free	0.20850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	SAD-phased LpqN model
RMSD bond length	0.002
RMSD bond angle	0.545
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.14rc1_3177: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.044	0.271
Rmeas	0.054	0.465
Rpim	0.020	0.187
Number of reflections	27327	2452
<I/σ(I)>	19	2.9
Completeness [%]	96.1	87.3
Redundancy	6.9	5.3
CC(1/2)	0.999	0.956

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	295	0.1 M sodium citrate, pH 6.0, 1.5 M ammonium sulfate