5JGW

Crystal structure of maize AKR4C13 in complex with NADP and acetate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-06
Detector	ADSC QUANTUM 210
Wavelength(s)	0.9334
Spacegroup name	P 21 21 21
Unit cell lengths	114.654, 115.467, 124.938
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	84.800 - 2.300
R-factor	0.2138
Rwork	0.212
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.490
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.800		2.440
High resolution limit [Å]	2.300	6.800	2.300
Rmerge	0.050	0.019	0.647
Number of reflections	140645
<I/σ(I)>	16.76	54.37	2.19
Completeness [%]	99.1	93.3	98.2
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0.1 M sodium acetate pH 4.5 and 25% m/v PEG3350