5ZHC

Crystal structure of the PadR-family transcriptional regulator Rv3488 of Mycobacterium tuberculosis H37Rv

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E+ SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2017-03-02
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	30.633, 49.099, 127.325
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.660 - 1.970
R-factor	0.18766
Rwork	0.185
R-free	0.23773
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ejo
RMSD bond length	0.013
RMSD bond angle	1.579
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.660	2.010
High resolution limit [Å]	1.970	1.970
Rmerge	0.075	0.650
Rmeas	0.079	0.700
Rpim	0.023	0.250
Number of reflections	14217
<I/σ(I)>	34.06	2.06
Completeness [%]	99.8	98.4
Redundancy	10.9	6.8
CC(1/2)		0.890

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	296	0.1 M sodium acetate, 2.0 M sodium formate