3S3L

Crystal Structure of CerJ from Streptomyces tendae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2010-09-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000, 1.700, 0.950
Spacegroup name	P 41 21 2
Unit cell lengths	105.410, 105.410, 120.920
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.190 - 2.000
R-factor	0.16409
Rwork	0.162
R-free	0.20843
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.524
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.100
High resolution limit [Å]		2.050
Rmerge	0.070	0.576
<I/σ(I)>	30.4	4.4
Completeness [%]	99.9	99.9
Redundancy	9.4	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	22.5% PEG 4000, 100 mM Tris/HCl pH 8.5, 200 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K