4N6F

Crystal structure of Amycolatopsis orientalis BexX complexed with G6P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-24
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9767
Spacegroup name	P 43 21 2
Unit cell lengths	168.940, 168.940, 42.367
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 2.250
R-factor	0.1926
Rwork	0.191
R-free	0.22210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.192
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.290
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.064	0.047	0.325
Number of reflections	29855
<I/σ(I)>	12.8
Completeness [%]	100.0	99.3	100
Redundancy	14.5	12.8	14.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	295	40% (v/v) PEG300, 0.1 M sodium cacodylate/HCl, pH 6.5, 0.2 M calcium acetate, vapor diffusion, hanging drop, temperature 295K