4RYR

Crystal structure of BcTSPO, type 2 at 1.7 Angstrom with DMSO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4C
Synchrotron site	NSLS
Beamline	X4C
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-10
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 21 21 21
Unit cell lengths	28.906, 54.658, 107.579
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.338 - 1.704
R-factor	0.193
Rwork	0.192
R-free	0.21500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rym
RMSD bond length	0.011
RMSD bond angle	1.405
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.730
High resolution limit [Å]	1.700	1.700
Number of reflections	18066
Completeness [%]	91.7	59.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LCP	5.5	293	crystals grew from 0.2 M ammonium sulfate, 0.1 M BIS-TRIS pH 5.5, 25% w/v polyethylene glycol 3,350 in LCP, temperature 293K