3TFZ

Crystal structure of Zhui aromatase/cyclase from Streptomcyes sp. R1128

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-03-08
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	50.016, 135.731, 175.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.390
R-factor	0.196
Rwork	0.193
R-free	0.26100
Structure solution method	MAD
RMSD bond length	0.028
RMSD bond angle	2.518
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.390	2.390
Number of reflections	48090
<I/σ(I)>	16.4	3.7
Completeness [%]	99.8	99
Redundancy	7	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	1.1M NAH2PO4/0.7M K2PO4, 0.1M CAPS PH 10.5, 0.2M LI2SO4, 0.1M NACITRATE, 0.1M GUANIDINE HCL, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	VAPOR DIFFUSION, HANGING DROP	7.2	298	1.1M NAH2PO4/0.7M K2PO4, 0.1M CAPS PH 10.5, 0.2M LI2SO4, 0.1M NACITRATE, 0.1M GUANIDINE HCL, VAPOR DIFFUSION, HANGING DROP, temperature 298K