4RYM

Crystal structure of BcTSPO Iodo Type1 monomer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-05
Detector	ADSC QUANTUM 4
Wavelength(s)	2.0735
Spacegroup name	P 21 21 21
Unit cell lengths	33.356, 49.538, 99.213
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.053 - 2.800
R-factor	0.2196
Rwork	0.217
R-free	0.27180
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.768
Data reduction software	XDS
Data scaling software	XDS
Phasing software	SHELXS
Refinement software	PHENIX ((phenix.refine: 1.9_1690))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.870
High resolution limit [Å]	2.800	2.800
Number of reflections	4153
Completeness [%]	94.7	70.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LCP	6.5	293	crystals grew from 0.1 M sodium cacodylate, 5% w/v PGA LM (poly-l-glutamic acid, low molecular weight~ 200-400 kDa), 30% v/v PEG 550MME (Polyethylene glycol monomethyl ether 550), pH 6.5 in LCP with monoolein (9.9 MAG), temperature 293K