5YIY

Crystal structure of D175A mutant of Rv3272 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	2017-07-03
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9660
Spacegroup name	P 43 21 2
Unit cell lengths	78.678, 78.678, 251.475
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.115 - 2.504
R-factor	0.2037
Rwork	0.202
R-free	0.23450
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.992
Data reduction software	HKL-2000 (v715.5)
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	75.099	2.594
High resolution limit [Å]	2.498	2.504
Rmerge	0.088	0.442
Rmeas	0.100
Number of reflections	28431	1755
<I/σ(I)>	9.94	1.15
Completeness [%]	94.2	63.06
Redundancy	4.2	1.6
CC(1/2)	0.996	0.726

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	100mM Tris pH 8.5, 100mM MgCl2, PEG 4000, 20-25% PEG 6000, 100um Octanoyl CoA