6KBL

Structure-function study of AKR4C14, an aldo-keto reductase from Thai Jasmine rice (Oryza sativa L. ssp. Indica cv. KDML105)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	110
Detector technology	CCD
Collection date	2016-07-21
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	58.070, 65.306, 79.065
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.240 - 1.700
R-factor	0.16694
Rwork	0.166
R-free	0.19350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h7u
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AMoRE
Refinement software	REFMAC (5.8.0230)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.730
High resolution limit [Å]	1.700	1.700
Rmerge	0.275	0.073
Number of reflections	33541	1639
<I/σ(I)>	18.28	4.53
Completeness [%]	99.1	98.2
Redundancy	5.6	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	6.5	277	0.2 M sodium acetate, 0.1 M sodium cacodylate pH 6.5, 30%(w/v) PEG 8000