5YO2

The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with Acetyl CoA and L-Arginine

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	2017-07-26
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	79.773, 79.773, 115.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.809 - 2.997
R-factor	0.2204
Rwork	0.219
R-free	0.24580
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.661
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.750	46.750	3.180
High resolution limit [Å]	3.000	8.990	3.000
Rmerge	0.206	0.045	0.910
Rmeas	0.211	0.046	0.931
Rpim	0.044	0.011	0.194
Total number of observations	180968	6281	28427
Number of reflections	7975	356	1238
<I/σ(I)>	18	49	4.2
Completeness [%]	99.8	99.4	98.8
Redundancy	22.7	17.6	23
CC(1/2)	0.999	1.000	0.967

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	PEG