4B8X

Near atomic resolution crystal structure of Sco5413, a MarR family transcriptional regulator from Streptomyces coelicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-01-15
Detector	ADSC QUANTUM 315
Spacegroup name	P 21 21 21
Unit cell lengths	63.400, 65.650, 69.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.800 - 1.250
R-factor	0.14861
Rwork	0.147
R-free	0.17509
Structure solution method	SIRAS
Starting model (for MR)	NONE
RMSD bond length	0.010
RMSD bond angle	1.409
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.720	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.090	0.710
Number of reflections	81107
<I/σ(I)>	11.5	2.6
Completeness [%]	100.0	100
Redundancy	8.3	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291	HANGING DROP VAPOUR DIFFUSION AT 291 K. DROPS CONSISTED OF 1 MICROLITRE OF PROTEIN AT 10 MG/ML IN 50 MM HEPES PH 7.5, 500 MM NACL PLUS 1 MICROLITRE OF PRECIPITANT SOLUTION COMPRISED OF 0.2 M POTASSIUM NITRATE, 25% PEG 3350, 6% MPD, 15% GLYCEROL, 1 MM SPERMIDINE