5W95

Mtb Rv3802c with PEG bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	80
Detector technology	CCD
Collection date	2016-06-05
Detector	RAYONIX MX-300
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	57.188, 91.300, 101.391
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.321 - 1.723
R-factor	0.159
Rwork	0.158
R-free	0.18300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.062
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall
Low resolution limit [Å]	44.321
High resolution limit [Å]	1.720
Number of reflections	56631
<I/σ(I)>	23.23
Completeness [%]	99.6
Redundancy	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		289.15	0.1 M BIS-TRIS pH 6.5, 25% w/v Polyethylene glycol 3,350