6DRR

Crystal structure of Cj0485 dehydrogenase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-002
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-20
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54187
Spacegroup name	C 2 2 21
Unit cell lengths	100.659, 108.780, 105.638
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.868 - 1.599
R-factor	0.176
Rwork	0.174
R-free	0.20550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gvx
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.880	1.630
High resolution limit [Å]	1.599	1.600
Rmerge	0.071	0.328
Rpim	0.028	0.225
Number of reflections	76135
<I/σ(I)>	22.9	2.6
Completeness [%]	99.7	99.1
Redundancy	4.7	2.8
CC(1/2)	0.997	0.943

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	3.4 M 1,6-hexanediol, 0.1 M Tris and 0.2 M MgCl2 (H2O)6