5L84

Structure of the H959F variant of the PpsC dehydratase domain from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-04-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0723
Spacegroup name	P 43 21 2
Unit cell lengths	83.787, 83.787, 165.754
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.197 - 2.900
R-factor	0.1947
Rwork	0.192
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ooc
RMSD bond length	0.004
RMSD bond angle	0.856
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.125
High resolution limit [Å]	2.900
Number of reflections	13660
<I/σ(I)>	18.7
Completeness [%]	99.0
Redundancy	10.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	Na/K PO4 1.8 M pH 6.0