2ETV

Crystal structure of a putative fe(iii) abc transporter (tm0189) from thermotoga maritima msb8 at 1.70 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2005-08-04
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97960, 0.95372
Spacegroup name	P 63
Unit cell lengths	109.820, 109.820, 122.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 1.700
R-factor	0.16514
Rwork	0.163
R-free	0.20700
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.571
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.103	0.894	0.725
Number of reflections	92056	18134	14447
<I/σ(I)>	6.78	17.3	1.51
Completeness [%]	92.8		80.4
Redundancy	5.65

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP		277	0.2M (NH4)2HPO4, 20.0% PEG-3350, No Buffer pH 7.9, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K