4FHF

Spore photoproduct lyase C140A mutant with dinucleoside spore photoproduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	293
Detector technology	PIXEL
Collection date	2011-05-20
Detector	PSI PILATUS 6M
Wavelength(s)	0.9778
Spacegroup name	P 21 21 21
Unit cell lengths	53.200, 58.990, 131.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.930 - 2.300
R-factor	0.2225
Rwork	0.221
R-free	0.25655
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wt structure without substrate
RMSD bond length	0.005
RMSD bond angle	0.866
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.930	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.066	0.524
Number of reflections	19013
Completeness [%]	99.7	99.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	200 mM Li-sulfate, 100 mM Tris/HCl, 19-27% PEG800, 70 mM HEGA-8, anaerobically, VAPOR DIFFUSION, HANGING DROP, temperature 293K