3TUJ

Inward facing conformations of the MetNI methionine ABC transporter: DM crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97901
Spacegroup name	I 2 2 2
Unit cell lengths	155.750, 164.130, 212.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.852 - 4.000
R-factor	0.2618
Rwork	0.259
R-free	0.29530
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER (EP/MR)
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	129.791	19.852	4.060
High resolution limit [Å]	3.850	12.170	3.850
Rmerge		0.021	0.021
Total number of observations		10035	63181
Number of reflections	25904
<I/σ(I)>	14.3	13.6	0.4
Completeness [%]	99.3	77.2	100
Redundancy	16.5	14.6	16.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.5mM TCEP, 0.1M sodium chloride, 0.1M magnesium chloride, 0.1M HEPES, pH 7.5, 33% v/v polyethylene glycol 400, VAPOR DIFFUSION, SITTING DROP, temperature 293K