5L53

Menthone neomenthol reductase from Mentha piperita in complex with NADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-01-29
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97625
Spacegroup name	I 41 2 2
Unit cell lengths	80.125, 80.125, 255.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.793 - 2.240
R-factor	0.2104
Rwork	0.208
R-free	0.25780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3o26
RMSD bond length	0.012
RMSD bond angle	1.132
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((dev_2386: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.793	2.300
High resolution limit [Å]	2.240	2.240
Rmerge	0.128
Number of reflections	20604
<I/σ(I)>	15	1.3
Completeness [%]	100.0	100
Redundancy	25.4
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277.15	0.1M imidazole pH 8 and 1M sodium citrate