3TUZ

Inward facing conformations of the MetNI methionine ABC transporter: CY5 SeMet soak 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	PIXEL
Collection date	2010-12-05
Detector	PSI PILATUS 6M
Wavelength(s)	0.98010
Spacegroup name	P 1 21 1
Unit cell lengths	83.310, 138.890, 147.510
Unit cell angles	90.00, 95.72, 90.00

Refinement procedure

Resolution	38.799 - 3.400
R-factor	0.2625
Rwork	0.260
R-free	0.30550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dhw
RMSD bond length	0.012
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	146.772	39.463	3.370
High resolution limit [Å]	3.195	10.100	3.190
Rmerge		0.031	0.686
Total number of observations		18309	26708
Number of reflections	47870
<I/σ(I)>	15.6	18	1.1
Completeness [%]	86.3	96.4	49.5
Redundancy	10.3	10.5	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	25% v/v polyethylene glycol 400, 0.1 M tris, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K