6IHH

Crystal structure of RasADH F12 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 32 2 1
Unit cell lengths	118.687, 118.687, 73.009
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	24.350 - 1.800
R-factor	0.16828
Rwork	0.166
R-free	0.20393
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4bms
RMSD bond length	0.009
RMSD bond angle	1.576
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.860
High resolution limit [Å]	1.800	3.870	1.800
Rmerge	0.099	0.056	0.613
Rmeas	0.105	0.059	0.650
Rpim	0.033	0.019	0.214
Total number of observations	565706
Number of reflections	55225	5776	5156
<I/σ(I)>	7
Completeness [%]	99.4	100	93.6
Redundancy	10.2	10.2	8.6
CC(1/2)		0.998	0.947

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	Ammonium Sulfate, Bis-Tris, PEG3350