3LI2

Closed Conformation of HtsA Complexed with Staphyloferrin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	52.280, 148.600, 52.270
Unit cell angles	90.00, 117.14, 90.00

Refinement procedure

Resolution	33.150 - 2.200
R-factor	0.168
Rwork	0.165
R-free	0.21600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.478
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.9)
Phasing software	MOLREP
Refinement software	REFMAC (refmac_5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.300	2.320
High resolution limit [Å]	2.200	2.200
Number of reflections	35659
<I/σ(I)>	10.8	4.1
Completeness [%]	99.2	99.2
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	0.05 M zinc acetate, 20 % PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K