2VEZ

AfGNA1 crystal structure complexed with Acetyl-CoA and Glucose-6P gives new insights into catalysis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	70.677, 100.541, 55.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.450
R-factor	0.169
Rwork	0.168
R-free	0.21900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.012
RMSD bond angle	1.707
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.500
High resolution limit [Å]	1.450	1.450
Rmerge	0.070	0.460
Number of reflections	33822
<I/σ(I)>	12.2	2.3
Completeness [%]	94.2	86.4
Redundancy	3.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1