5BQ5

Crystal structure of the IstB AAA+ domain bound to ADP-BeF3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97955
Spacegroup name	P 61
Unit cell lengths	133.806, 133.806, 70.950
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.798 - 2.100
R-factor	0.1832
Rwork	0.182
R-free	0.20340
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.789
Data scaling software	SCALA (3.3.21)
Phasing software	PHASER
Refinement software	PHENIX (1.9-1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.798	48.675	2.210
High resolution limit [Å]	2.100	6.640	2.100
Rmerge		0.027	1.605
Rmeas	0.173
Rpim	0.044	0.013	0.435
Total number of observations	648053	20783	94171
Number of reflections	42394
<I/σ(I)>	18.9	76.7	1.9
Completeness [%]	100.0	99.5	100
Redundancy	15.3	14.8	15.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	100 mM BIS-TRIS propane pH 6.5, 300 mM ammonium sulfate and 18.5% PEG 3350