4ITQ

Crystal structure of hypothetical protein SCO1480 bound to DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-07-31
Detector	PSI PILATUS 6M
Wavelength(s)	0.9793
Spacegroup name	C 2 2 21
Unit cell lengths	43.420, 71.782, 102.925
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.439 - 2.700
R-factor	0.2672
Rwork	0.262
R-free	0.31500
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.789
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	AutoSol
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.640
High resolution limit [Å]	2.600	7.050	2.600
Rmerge	0.055	0.026	0.539
Number of reflections	5202
<I/σ(I)>	31.2	66.4	1.4
Completeness [%]	99.6	100	94.7
Redundancy	6.1	6.5	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	277	19% PEG 3350, 210 mM KSCN, 5% ethylene glycol, 100 mM HEPES pH 7.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K