3POV

Crystal structure of a SOX-DNA complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-04
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	54.520, 67.660, 174.560
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.087 - 2.500
R-factor	0.2093
Rwork	0.206
R-free	0.26350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	protein co-ordinates from entry 3FHD
RMSD bond length	0.004
RMSD bond angle	0.760
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.087	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.093	0.533
Number of reflections	22693
<I/σ(I)>	8.7	2.6
Completeness [%]	98.9	99.4
Redundancy	3.9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	289	180mM ammonium formate, 19% PEG 3350, pH 7.5, VAPOR DIFFUSION, temperature 289K