5YK0

The complex structure of Rv3197-ADP from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97906
Spacegroup name	P 63 2 2
Unit cell lengths	186.963, 186.963, 67.286
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.273 - 2.102
R-factor	0.1927
Rwork	0.191
R-free	0.22830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yjz
RMSD bond length	0.004
RMSD bond angle	0.868
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.090	0.699
Number of reflections	40630	1974
<I/σ(I)>	27.9	2.5
Completeness [%]	99.9	100
Redundancy	13.8	12.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	2.0M lithium sulfate, 0.1M Tris (pH 8.5), 2% (w/v) PEG 400