5D6J

Crystal structure of a mycobacterial protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-12-07
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97928
Spacegroup name	P 43 21 2
Unit cell lengths	122.211, 122.211, 142.588
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.985 - 2.250
R-factor	0.1702
Rwork	0.169
R-free	0.20620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.951
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.099	0.557
<I/σ(I)>	26.5	6.2
Completeness [%]	100.0	100
Redundancy	14.3	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		281	0.2 M sodium malonate, 20% PEG 3350