4YER

Crystal structure of an ABC transporter ATP-binding protein (TM_1403) from Thermotoga maritima MSB8 at 2.35 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL1-5
Synchrotron site	SSRL
Beamline	BL1-5
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.999974
Spacegroup name	P 21 21 21
Unit cell lengths	61.310, 101.180, 110.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.725 - 2.350
R-factor	0.2236
Rwork	0.223
R-free	0.24160
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	0.960
Data reduction software	XDS
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.725	29.725	2.410
High resolution limit [Å]	2.350	10.510	2.350
Rmerge		0.038	0.800
Rmeas	0.096	0.046	0.921
Rpim	0.048	0.024	0.452
Total number of observations	117826	1200	8712
Number of reflections	29295
<I/σ(I)>	10.6	24.6	1.9
Completeness [%]	99.9	95.2	100
Redundancy	4	3.3	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.28	293	54.0% polyethylene glycol 200, 0.2M sodium chloride, 0.1M phosphate-citrate pH 4.28
1	VAPOR DIFFUSION, SITTING DROP	4.28	293	54.0% polyethylene glycol 200, 0.2M sodium chloride, 0.1M phosphate-citrate pH 4.28
1	VAPOR DIFFUSION, SITTING DROP	4.28	293	54.0% polyethylene glycol 200, 0.2M sodium chloride, 0.1M phosphate-citrate pH 4.28
1	VAPOR DIFFUSION, SITTING DROP	4.28	293	54.0% polyethylene glycol 200, 0.2M sodium chloride, 0.1M phosphate-citrate pH 4.28
1	VAPOR DIFFUSION, SITTING DROP	4.28	293	54.0% polyethylene glycol 200, 0.2M sodium chloride, 0.1M phosphate-citrate pH 4.28
2	VAPOR DIFFUSION, SITTING DROP	4.2	293	0.2M sodium chloride, 55.0% polyethylene glycol 200, 0.1M phosphate-citrate pH 4.2