5XUR

Crystal Structure of Rv2466c C22S Mutant

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	2013-01-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	73.391, 58.767, 109.331
Unit cell angles	90.00, 100.67, 90.00

Refinement procedure

Resolution	45.558 - 1.996
R-factor	0.1583
Rwork	0.157
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nxi
Data scaling software	SCALEPACK
Refinement software	PHENIX (dev_2689)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.030
High resolution limit [Å]	1.996	5.430	2.000
Rmerge	0.073	0.021	0.637
Number of reflections	61892
<I/σ(I)>	10.8
Completeness [%]	99.4	99.7	98.4
Redundancy	4	4.1	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	291	25% PEG 3350, 0.1 M Bis-Tris, pH 5.6, 0.1 M Ammounium Sulfate