3TD9

Crystal structure of a Leucine binding protein LivK (TM1135) from Thermotoga maritima MSB8 at 1.90 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-23
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97920
Spacegroup name	C 2 2 21
Unit cell lengths	86.685, 91.315, 90.657
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 1.900
R-factor	0.1529
Rwork	0.151
R-free	0.19250
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.419
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.700	29.700	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.115	0.037	0.703
Total number of observations		1307	8564
Number of reflections	28707
<I/σ(I)>	9.2	14.7	2.2
Completeness [%]	100.0	97.9	100
Redundancy	4.1	3.6	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	2.00% polyethylene glycol 400, 2.00M ammonium sulfate, 0.1M HEPES pH 7.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K