5YX6

Crystal structure of Rv3272 from M. tuberculosis orthorhombic form

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 PILATUS 2M
Wavelength(s)	0.9660
Spacegroup name	P 21 21 21
Unit cell lengths	68.261, 101.922, 241.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.950 - 2.200
R-factor	0.212
Rwork	0.211
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yit
RMSD bond length	0.006
RMSD bond angle	1.073
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.950	1.990
High resolution limit [Å]	1.870	1.870
Number of reflections	114403
<I/σ(I)>	7.28
Completeness [%]	79.8	21.4
Redundancy	5.16
CC(1/2)	0.672	0.250

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	279	200mM Disodium hydrogen phosphate, 22% PEG 3350, 2% Benzamidine hydrochloride