3SYL

Crystal structure of the AAA+ protein CbbX, native structure

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	76.128, 93.141, 106.102
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 3.000
R-factor	0.2218
Rwork	0.218
R-free	0.28540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3syk
RMSD bond length	0.007
RMSD bond angle	1.084
Data reduction software	XDS
Data scaling software	SCALA (3.2.25)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.098	46.098	3.160
High resolution limit [Å]	2.894	9.490	3.000
Rmerge	0.078	0.015	0.453
Total number of observations		1799	8278
Number of reflections	15101
<I/σ(I)>	15	42.1	1.7
Completeness [%]	96.9	93.6	97.8
Redundancy	3.7	3.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	291	0.4 M (NH4)2SO4, 0.05 M MES-NaOH pH 6.5, vapor diffusion, temperature 291K