6R7P

Crystal structure of oxidized Aquifex aeolicus NADH-quinone oxidoreductase subunits NuoE and NuoF S96M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2019-03-07
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.54187
Spacegroup name	P 21 21 21
Unit cell lengths	63.410, 114.640, 187.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.730 - 3.220
R-factor	0.2104
Rwork	0.208
R-free	0.25720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6q9k
RMSD bond length	0.005
RMSD bond angle	1.321
Data reduction software	MOSFLM (7.2.1)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.210	38.210	3.480
High resolution limit [Å]	3.220	8.520	3.220
Rmerge	0.269	0.045	0.890
Rmeas	0.291	0.049	0.964
Rpim	0.110	0.020	0.367
Number of reflections	22909	1305	4655
<I/σ(I)>	6.8
Completeness [%]	99.8	96.2	100
Redundancy	6.7	5.1	6.8
CC(1/2)	0.991	0.999	0.795

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	289	(NH4)2SO4, BisTris, NaCl, cryo-protection with glycerol