7SHW

Crystal structure of Mycobacterium smegmatis LmcA with xenon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-04
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1
Unit cell lengths	34.120, 56.989, 73.573
Unit cell angles	78.42, 89.21, 78.92

Refinement procedure

Resolution	48.580 - 1.790
R-factor	0.197
Rwork	0.197
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7n3v
RMSD bond length	0.010
RMSD bond angle	1.030
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.580	48.580	1.830
High resolution limit [Å]	1.790	8.950	1.790
Rmerge	0.092	0.085	0.563
Rmeas	0.099	0.091	0.658
Rpim	0.036	0.032	0.335
Total number of observations	357545	3089	9238
Number of reflections	48586	388	2505
<I/σ(I)>	12.4	26.7	2.4
Completeness [%]	96.9	97	85.5
Redundancy	7.4	8	3.7
CC(1/2)	0.998	0.995	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7	298	ammonium sulfate, Tris