2NXO

Crystal structure of protein SCO4506 from Streptomyces coelicolor, Pfam DUF178

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2006-11-06
Detector	ADSC QUANTUM 315
Spacegroup name	P 1 21 1
Unit cell lengths	75.792, 97.370, 86.570
Unit cell angles	90.00, 106.48, 90.00

Refinement procedure

Resolution	30.280 - 2.040
R-factor	0.249
Rwork	0.249
R-free	0.28000
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.400
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.040	2.040
Rmerge	0.043	0.209
Number of reflections	76032
<I/σ(I)>	16.8
Completeness [%]	98.8	89.7
Redundancy	4.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	0.2 M MgCl2, 0.1 M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K
1	VAPOR DIFFUSION, HANGING DROP	5.5	294	0.2 M MgCl2, 0.1 M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K