5Y06

Structural characterization of msmeg_4306 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2016-11-07
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	76.600, 76.600, 84.811
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	66.338 - 2.606
R-factor	0.2419
Rwork	0.240
R-free	0.27130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5y05
RMSD bond length	0.001
RMSD bond angle	0.363
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (dev_2614)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.340	2.710
High resolution limit [Å]	2.590	2.590
Rmerge	0.093	0.621
Rpim	0.034	0.230
Number of reflections	9152	955
<I/σ(I)>	16.4
Completeness [%]	98.2	85.1
Redundancy	8.4	7.9
CC(1/2)	0.990	0.700

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	20% PEG 8000, 5% PEG 2000 MME, 0.1 M Tris-HCl pH 8.5, 0.1 M magnesium formate