4ZJM

Crystal Structure of Mycobacterium tuberculosis LpqH (Rv3763)

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]	100
Detector technology	CCD
Collection date	2011-07-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9794
Spacegroup name	P 43 21 2
Unit cell lengths	100.370, 100.370, 239.150
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.832 - 2.851
R-factor	0.2064
Rwork	0.202
R-free	0.24620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xin
RMSD bond length	0.008
RMSD bond angle	1.127
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MR-Rosetta
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.832	2.930
High resolution limit [Å]	2.850	2.850
Rmerge	0.118	1.494
Number of reflections	29240
<I/σ(I)>	15.22	1.88
Completeness [%]	99.9	98.96
Redundancy	6.8	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2:1 ratio of protein to reservoir solution (2 M ammonium sulfate). 200 nanoliter drop size. Protein buffer: 50 mM HEPES, pH 7.8, 150 mM NaCl.