1TJR

Crystal structure of wild-type BX1 complexed with a sulfate ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	0.934
Spacegroup name	H 3
Unit cell lengths	123.000, 123.000, 98.800
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.720 - 2.300
R-factor	0.285
Rwork	0.285
R-free	0.33800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qop
RMSD bond length	0.008
RMSD bond angle	1.300
Data reduction software	PROCOR
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.000
Number of reflections	62014

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	VAPOR DIFFUSION, HANGING DROP, temperature 293K