4OQQ

Structure of the effector-binding domain of deoxyribonucleoside regulator DeoR from Bacillus subtilis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-12-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9184
Spacegroup name	P 32
Unit cell lengths	63.081, 63.081, 150.129
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	27.310 - 1.800
R-factor	0.19455
Rwork	0.193
R-free	0.22756
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oqp
RMSD bond length	0.012
RMSD bond angle	1.439
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.048	0.179
Number of reflections	57887
<I/σ(I)>		2.9
Completeness [%]	93.1	53.3
Redundancy	3.8	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.1 M Bicine, 20% (w/v) PEG 6000; 12.5 mg/mL protein in 20 mM trisodium citrate pH 7.0, 150 mM NaCl, 0.02% (v/v) 2-mercaptoethanol; protein:reservoir 1:2, VAPOR DIFFUSION, HANGING DROP, temperature 291K