3QNQ

Crystal structure of the transporter ChbC, the IIC component from the N,N'-diacetylchitobiose-specific phosphotransferase system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2009-04-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.08097
Spacegroup name	P 43 21 2
Unit cell lengths	132.812, 132.812, 452.954
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.974 - 3.295
R-factor	0.2294
Rwork	0.228
R-free	0.26360
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.217
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	PHENIX (1.6.4_486)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.420
High resolution limit [Å]	3.295	7.100	3.300
Rmerge	0.077	0.042	0.702
Number of reflections	59563
<I/σ(I)>	7.9
Completeness [%]	95.7	99.5	91.4
Redundancy	10.1	12.9	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	30% PEG 400, 100 mM Li2SO4, 0.5% polyvinylpyrrolidone, 100 mM Na Citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K
2	VAPOR DIFFUSION, SITTING DROP	5.6	293	30% PEG 400, 100 mM Li2SO4, 0.5% polyvinylpyrrolidone, 100 mM Na Citrate, Ta6Br12 powder., pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K