7KRG

Crystal Structure of Mannitol Dehydrogenase (ChMDH) from Cladosporium herbarum in complex with NADP+ and Na

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-07-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	88.867, 119.322, 111.211
Unit cell angles	90.00, 94.88, 90.00

Refinement procedure

Resolution	31.405 - 2.038
R-factor	0.154547684041
Rwork	0.154
R-free	0.18292
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gdf
RMSD bond length	0.007
RMSD bond angle	0.829
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.038	2.038
Rmeas	0.137
Number of reflections	141106	7165
<I/σ(I)>	16.6
Completeness [%]	97.6
Redundancy	2.9
CC(1/2)		0.656

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	25% PEG 1500, 100 mM sodium propionate/sodium cacodylate/BIS-TRIS propane (2:1:2 molar ratio), pH 7, 5 mM NADP+