4F6C

Crystal structure of Aureusimine biosynthetic cluster reductase domain

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	2010-10-05
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	105.699, 106.446, 124.878
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.427 - 2.812
R-factor	0.2078
Rwork	0.206
R-free	0.24270
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.177
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.065
<I/σ(I)>	27.1
Completeness [%]	99.9	100
Redundancy	7.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	0.2 M tri-sodium citrate, 0.1 M HEPES pH 7.5, 10% isopropanol, VAPOR DIFFUSION, HANGING DROP, temperature 293K