5EA2

Crystal Structure of Holo NAD(P)H dehydrogenase, quinone 1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-02-25
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.54
Spacegroup name	P 1 21 1
Unit cell lengths	56.930, 107.160, 99.760
Unit cell angles	90.00, 100.68, 90.00

Refinement procedure

Resolution	44.570 - 2.010
R-factor	0.1823
Rwork	0.180
R-free	0.21630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d4a
RMSD bond length	0.010
RMSD bond angle	1.000
Data reduction software	MOSFLM
Data scaling software	Aimless (0.1.29)
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.120	45.120	2.050
High resolution limit [Å]	2.010	10.250	2.010
Rmerge		0.040	1.198
Rpim		0.016	0.484
Total number of observations		4499	31465
Number of reflections	78225
<I/σ(I)>	7	17.8	1.5
Completeness [%]	100.0	98.8	99.7
Redundancy	7.4	7.2	7.1
CC(1/2)		0.999	0.621

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	PEG3350, Ammonium Citrate