6IHI

Crystal structure of RasADH 3B3/I91V from Ralstonia.sp in complex with NADPH and A6O

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL15A1
Synchrotron site	NSRRC
Beamline	BL15A1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-06-28
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 61
Unit cell lengths	69.075, 69.075, 388.987
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.708 - 1.780
R-factor	0.1854
Rwork	0.185
R-free	0.21430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bms
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.840
High resolution limit [Å]	1.780	3.830	1.780
Rmerge	0.074	0.041	0.764
Rmeas	0.079	0.043	0.809
Rpim	0.026	0.015	0.263
Total number of observations	898880
Number of reflections	99773	9948	9987
<I/σ(I)>	9.3
Completeness [%]	99.9	98.9	100
Redundancy	9	8.3	9.3
CC(1/2)		0.999	0.862

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	298	LiCl, Bicine, PEG6000