6ADD

The crystal structure of Rv2747 from Mycobacterium tuberculosis in complex with CoA and NLQ

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	2017-11-06
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54
Spacegroup name	P 41 21 2
Unit cell lengths	82.385, 82.385, 114.899
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.552 - 2.301
R-factor	0.2067
Rwork	0.205
R-free	0.24480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yo2
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.8.0)
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.078	0.517
Rpim	0.019	0.121
Number of reflections	18183	875
<I/σ(I)>	41.74
Completeness [%]	99.8
Redundancy	18.6
CC(1/2)	0.996	0.981

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	PEG