5JH2

Crystal structure of the holo form of AKR4C7 from maize

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE W01B-MX2
Synchrotron site	LNLS
Beamline	W01B-MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-05-23
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458
Spacegroup name	P 21 21 21
Unit cell lengths	47.219, 55.857, 105.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.390 - 1.720
R-factor	0.17
Rwork	0.168
R-free	0.20710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jh1
RMSD bond length	0.019
RMSD bond angle	1.843
Data scaling software	SCALA (3.3.9)
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	52.870	49.390	1.810
High resolution limit [Å]	1.720	5.440	1.720
Rmerge		0.038	0.643
Rmeas	0.078
Rpim	0.034
Total number of observations	134095
Number of reflections	27864
<I/σ(I)>	11.6	14.1	1.2
Completeness [%]	91.7	99.6	74.8
Redundancy	4.8	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291	0,1 M Tris-HCl, pH, 6.0, 22% m/v PEG4000, 0,1 M sodium acetate