2GLX

Crystal Structure Analysis of bacterial 1,5-AF Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2004-04-20
Detector	MAR CCD 165 mm
Wavelength(s)	0.9788
Spacegroup name	P 1 21 1
Unit cell lengths	97.190, 84.900, 150.940
Unit cell angles	90.00, 96.30, 90.00

Refinement procedure

Resolution	19.000 - 2.200
R-factor	0.193
Rwork	0.190
R-free	0.25100
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.615
Data scaling software	XSCALE
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.000	2.300
High resolution limit [Å]	2.200	2.200
Rmerge	0.124	0.437
Number of reflections	123108	14875
<I/σ(I)>	8.56	3.6
Completeness [%]	99.2	0.99
Redundancy	3.5	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	100mM NaCitrat, 200mM Ammoniumacetat, 30% MPEG 5000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP	5.6	291	100mM NaCitrat, 200mM Ammoniumacetat, 30% MPEG 5000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K