4M7S

Crystal structure of SeMet BtrN in an OPEN conformation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	99.408, 42.058, 50.925
Unit cell angles	90.00, 105.40, 90.00

Refinement procedure

Resolution	38.513 - 2.022
R-factor	0.173
Rwork	0.171
R-free	0.21850
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.129
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.020	4.350	2.020
Number of reflections	25638
Completeness [%]		100	74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	13-18 % Jeffamine ED-2001 pH 7.0 (Hampton Research) and 100 mM imidazole pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K