5JH1

Crystal structure of the apo 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	2008-04-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.458
Spacegroup name	P 21 21 21
Unit cell lengths	48.220, 55.978, 103.258
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.950 - 1.450
R-factor	0.1339
Rwork	0.132
R-free	0.17600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1eko
RMSD bond length	0.017
RMSD bond angle	1.682
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.691	49.211	1.530
High resolution limit [Å]	1.450	4.590	1.450
Rmerge	0.073	0.071	0.412
Number of reflections	49709
<I/σ(I)>	13.8	7.9	1.8
Completeness [%]	98.8	99.6	97.1
Redundancy	5.2	9.6	4.9

Crystallization Conditions

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