6E66

Crystal structure of bacterial N-acetylglucosamine transferase NleB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17B1
Synchrotron site	SSRF
Beamline	BL17B1
Temperature [K]	77.2
Detector technology	CCD
Collection date	2011-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	P 21 21 2
Unit cell lengths	85.587, 101.458, 38.636
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.744 - 2.100
R-factor	0.2023
Rwork	0.200
R-free	0.24130
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.050
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((dev_3120: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.214	0.439
Number of reflections	19964	1873
<I/σ(I)>	21.4
Completeness [%]	97.9
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 ammonium sulfate, 0.1 M sodium cacodylate trihydrate at pH 6.5 and 30% PEG 8000