4OQP

Structure of the effector-binding domain of deoxyribonucleoside regulator DeoR from Bacillus subtilis in complex with deoxyribose-5-phosphate

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	2012-07-17
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	C 2 2 21
Unit cell lengths	76.995, 78.983, 91.338
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.770 - 1.600
R-factor	0.156
Rwork	0.154
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nze
RMSD bond length	0.012
RMSD bond angle	1.488
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.660
High resolution limit [Å]	1.600	1.600
Rmerge	0.040	0.255
Number of reflections	34660
<I/σ(I)>		2.8
Completeness [%]	93.5	62.3
Redundancy	5.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	291	0.08 M HEPES, 9.6% (w/v) PEG 3350, 4 mM CoCl2, 4 mM CdCl2, 4 mM MgCl2, and 4 mM NiCl2; 16.5 mg/mL protein in 20 mM trisodium citrate pH 7.0, 150 mM NaCl, 0.02% (v/v) 2-mercaptoethanol, 50 mM deoxyribose-5-phosphate; protein:reservoir 2:1, VAPOR DIFFUSION, HANGING DROP, temperature 291K