4KH3

Structure of a bacterial self-associating protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-08-01
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954383
Spacegroup name	P 4 21 2
Unit cell lengths	106.045, 106.045, 147.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.692 - 2.500
R-factor	0.1721
Rwork	0.168
R-free	0.21560
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.004
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.700	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.124	0.575
Number of reflections	29768
<I/σ(I)>		4.6
Completeness [%]	99.8	99.9
Redundancy	14.2	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4	291	2.8M sodium malonate pH 4, 10mM ATP, VAPOR DIFFUSION, temperature 291K
1	VAPOR DIFFUSION	4	291	2.8M sodium malonate pH 4, 10mM ATP, VAPOR DIFFUSION, temperature 291K