2G1U

CRYSTAL STRUCTURE OF A PUTATIVE TRANSPORT PROTEIN (TM1088A) FROM THERMOTOGA MARITIMA AT 1.50 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-02-04
Detector	ADSC QUANTUM 210
Wavelength(s)	1.0
Spacegroup name	P 1 2 1
Unit cell lengths	47.859, 35.140, 56.579
Unit cell angles	90.00, 111.85, 90.00

Refinement procedure

Resolution	44.420 - 1.500
R-factor	0.15407
Rwork	0.153
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1lss chain A
RMSD bond length	0.016
RMSD bond angle	1.648
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.421	44.420	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge	0.048	0.036	0.344
Total number of observations		3198	1954
Number of reflections	26312	348	1298
<I/σ(I)>	9.7	15.3	2.2
Completeness [%]	93.4		93.4
Redundancy	5.1	9.2	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	6.5	293	40.0% MPD, 5.0% PEG-8000, 0.1M Cacodylate pH 6.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 293K