4WJ2

Mycobacterial protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-20
Detector	RAYONIX MX-300
Wavelength(s)	0.97895
Spacegroup name	P 65
Unit cell lengths	148.290, 148.290, 49.690
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.340 - 2.800
R-factor	0.2276
Rwork	0.225
R-free	0.27620
RMSD bond length	0.009
RMSD bond angle	1.057
Data scaling software	Aimless (0.3.5)
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.340	46.340	2.950
High resolution limit [Å]	2.800	8.860	2.800
Rmerge	0.134	0.035	0.793
Rpim	0.054	0.014	0.309
Total number of observations	109020	3617	16513
Number of reflections	15294
<I/σ(I)>	12.9	36.4	2.3
Completeness [%]	97.6	98	99.3
Redundancy	7.1	6.8	7.4
CC(1/2)	0.997	0.999	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	0.1 M Bis-tris propane, 200 mM MgCl2, and PEG 3350