4RYJ

Crystal structure of apo dimer of BcTSPO

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	2014-06-14
Detector	MAR CCD 165 mm
Wavelength(s)	0.9791
Spacegroup name	P 1 21 1
Unit cell lengths	33.980, 104.930, 53.860
Unit cell angles	90.00, 104.89, 90.00

Refinement procedure

Resolution	36.951 - 4.100
R-factor	0.3466
Rwork	0.345
R-free	0.37360
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.068
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.000	4.210
High resolution limit [Å]	4.100	4.100
Number of reflections	5345
<I/σ(I)>	1.63
Completeness [%]	94.3	91.2
Redundancy	1.95

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	7.2	293	A sitting drop containing 2 L of BcTSPO (10mg/mL) was mixed with 2 uL of solution A (0.15 M sodium formate, 0.1 M HEPES pH7.2, 18 % w/v PEG 3350) and placed over a well containing 80 uL of 0.1 M HEPES pH7.2, 18 % w/v PEG 3350 and 20 uL of solution A, EVAPORATION, temperature 293K