6LDZ

Crystal structure of Rv0222 from Mycobacterium tuberculosis

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	2016-01-21
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97854
Spacegroup name	I 2 3
Unit cell lengths	120.626, 120.626, 120.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.648 - 2.400
R-factor	0.1792
Rwork	0.176
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qxi
RMSD bond length	0.008
RMSD bond angle	0.792
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	85.295	42.648	2.530
High resolution limit [Å]	2.400	7.590	2.400
Rmerge		0.023	0.650
Rmeas	0.098	0.024	0.667
Rpim	0.022	0.005	0.148
Total number of observations	231881	7261	34160
Number of reflections	11608	401	1708
<I/σ(I)>	28.1	89.9	5.5
Completeness [%]	100.0	99.5	100
Redundancy	20	18.1	20

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289	3.5 M Sodium formate, pH7.0