7FDS

High resolution crystal structure of LpqH from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 11.2C
Synchrotron site	ELETTRA
Beamline	11.2C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	29.900, 78.510, 42.180
Unit cell angles	90.00, 107.34, 90.00

Refinement procedure

Resolution	28.557 - 1.258
Rwork	0.143
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zjm
RMSD bond length	0.026
RMSD bond angle	2.402
Data reduction software	MOSFLM
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.557	1.280
High resolution limit [Å]	1.258	1.258
Rmerge	0.061	0.502
Rmeas	0.078	0.649
Rpim	0.047	0.407
Number of reflections	49917	2627
<I/σ(I)>	10.1
Completeness [%]	99.1	98
Redundancy	4.5
CC(1/2)	0.997	0.811

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.3	298	0.2M Ammonium sulphate, 20% PEG 3350