2P4P

Crystal structure of a CorC_HlyC domain from Haemophilus ducreyi

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2006-08-24
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97932, 0.97943
Spacegroup name	P 21 21 21
Unit cell lengths	29.552, 58.667, 87.434
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.740 - 1.800
R-factor	0.21054
Rwork	0.208
R-free	0.26189
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.552
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	autoSHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.800	3.880	1.800
Rmerge	0.100	0.083	0.315
Number of reflections	13730
<I/σ(I)>	8.4
Completeness [%]	92.9	98.6	61.9
Redundancy	6.1	5.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.05M Calcium chloride, 0.1M Bis-Tris pH 6.5, 30% PEG MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.05M Calcium chloride, 0.1M Bis-Tris pH 6.5, 30% PEG MME 550, VAPOR DIFFUSION, SITTING DROP, temperature 291K