5JAF

LeuT Na+-free Return State, C2 form at pH 5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-01-26
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9686
Spacegroup name	C 1 2 1
Unit cell lengths	88.450, 96.080, 84.180
Unit cell angles	90.00, 97.37, 90.00

Refinement procedure

Resolution	36.926 - 3.021
R-factor	0.2013
Rwork	0.196
R-free	0.25200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3f3a
RMSD bond length	0.004
RMSD bond angle	0.584
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((dev_2283: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.000	3.160
High resolution limit [Å]	3.020	3.020
Rmerge	0.104	1.462
Number of reflections	10033
<I/σ(I)>	9.2
Completeness [%]	99.6	99.7
Redundancy	2.5	0.2
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	292	1 uL + 1uL drop with 500 uL reservoir solution: 100 mM Tris-MES pH 5.0, 100 mM KCl, 20-24% w/w PEG550 MME and 10% (v/v) glycerol; protein buffer: 10 mM Tris-MES pH 6.0, 100 mM KCl, 10% (v/v) glycerol, 40 mM n-octyl-beta-D-glucoside