2RER

Crystal structure of the aromatase/cyclase domain of TcmN from Streptomyces glaucescens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97957
Spacegroup name	C 2 2 21
Unit cell lengths	69.660, 105.126, 50.259
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.310 - 1.900
Rwork	0.215
R-free	0.24900
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.940
High resolution limit [Å]	1.900	1.900
Number of reflections	14977
<I/σ(I)>	16.9	3.4
Completeness [%]	99.8	98.2
Redundancy	7	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	24% PEG 8000, 0.1M SODIUM ACETATE, pH 4.60, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	24% PEG 8000, 0.1M SODIUM ACETATE, pH 4.60, VAPOR DIFFUSION, SITTING DROP, temperature 277K