6L1Q

Crystal structure of AfCbbQ2, a MoxR AAA+-ATPase and CbbQO-type Rubisco activase from Acidithiobacillus ferrooxidans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-08-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.05
Spacegroup name	P 6
Unit cell lengths	167.753, 167.753, 48.291
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.056 - 2.200
R-factor	0.197
Rwork	0.194
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3c
RMSD bond length	0.005
RMSD bond angle	0.945
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.270
High resolution limit [Å]	2.200	2.200
Rmerge	0.090	0.360
Rpim	0.040	0.180
Number of reflections	56135	8038
<I/σ(I)>	16.1	5.1
Completeness [%]	99.9	99.5
Redundancy	10.5	9.7
CC(1/2)	0.990	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4.2	293	25% (v/v) 1,2-propanediol, phosphate-citrate pH4.2, 5% (v/v) PEG3000, 10% (v/v) glycerol