4TV7

Crystal structure of Bacillus subtilis GabR at 2.05 Angstroms resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-5A
Synchrotron site	Photon Factory
Beamline	BL-5A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	97.831, 101.556, 212.987
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.670 - 2.050
R-factor	0.23381
Rwork	0.231
R-free	0.28442
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.449
Data reduction software	HKL-2000
Data scaling software	HKL
Phasing software	SOLVE
Refinement software	REFMAC (refmac_5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.090
High resolution limit [Å]	2.050	5.560	2.050
Rmerge	0.059	0.039	0.580
Total number of observations	797244
Number of reflections	130131
<I/σ(I)>	16.2
Completeness [%]	97.3	83.8	95.6
Redundancy	6.1	5.7	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	PEG 1000, PEG 400, ethyleneglycol, calcium acetate, Tris-HCl