7CY2

The open conformation of MSMEG_1954 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-12-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97876
Spacegroup name	P 43 21 2
Unit cell lengths	74.006, 74.006, 167.157
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.940 - 2.750
R-factor	0.2431
Rwork	0.241
R-free	0.28730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yjz
RMSD bond length	0.006
RMSD bond angle	1.115
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.810
High resolution limit [Å]	2.750	6.780	2.750
Rmerge	0.122	0.058	1.758
Rmeas	0.125	0.060	1.799
Rpim	0.025	0.013	0.375
Total number of observations	312083
Number of reflections	12763	975	811
<I/σ(I)>	5.6
Completeness [%]	100.0	99.9	99.9
Redundancy	24.5	22.6	21.1
CC(1/2)		0.996	0.809

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2M ammonium sulfate, 0.1M Tris (pH8.5), 25% w/v PEG 3350