5XS9

Crystal structure of Mycobacterium smegmatis BioQ

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NFPSS BEAMLINE BL18U
Synchrotron site	NFPSS
Beamline	BL18U
Temperature [K]	195
Detector technology	PIXEL
Collection date	2017-03-31
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9778
Spacegroup name	C 2 2 21
Unit cell lengths	61.041, 190.179, 83.413
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.1816
Rwork	0.179
R-free	0.22908
RMSD bond length	0.019
RMSD bond angle	1.796
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	1.900
Number of reflections	38389
<I/σ(I)>	41.2
Completeness [%]	99.7
Redundancy	12.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	289	0.15 M DL-malic acid (pH 7.0), 0.1 M imidazole (pH 7.0), 22% (v/v) PEG mono-methyl ether 550