3D7J

SCO6650, a 6-pyruvoyltetrahydropterin synthase homolog from Streptomyces coelicolor

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2005-04-05
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9777, 0.9600, 0.9787
Spacegroup name	P 21 21 21
Unit cell lengths	77.400, 88.000, 120.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.340 - 1.450
R-factor	0.207
Rwork	0.206
R-free	0.22400
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.219
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.340	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.120	0.490
Number of reflections	140447
<I/σ(I)>	44	2.2
Completeness [%]	96.0	72
Redundancy	6.5	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	2 M NaCl, 10% PEG6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8	295	2 M NaCl, 10% PEG6000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K