2ITE

Crystal structure of the IsdA NEAT domain from Staphylococcus aureus

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2006-02-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97879, 0.97927
Spacegroup name	P 1 21 1
Unit cell lengths	44.428, 58.243, 45.246
Unit cell angles	90.00, 95.29, 90.00

Refinement procedure

Resolution	45.040 - 1.600
Rwork	0.166
R-free	0.20800
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.492
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.10)
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.070	0.047	0.323
Number of reflections	36766
<I/σ(I)>	13.5
Completeness [%]	99.5	99.7	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	30% PEG 4000, 0.1M CHES, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	9.5	293	30% PEG 4000, 0.1M CHES, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K