4RH1

Spore photoproduct lyase C140A/S76C mutant with bound AdoMet and dinucleoside spore photoproduct

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-20
Detector	PSI PILATUS 6M
Wavelength(s)	1.07169
Spacegroup name	P 21 21 21
Unit cell lengths	53.440, 58.560, 130.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.530 - 2.600
R-factor	0.26693
Rwork	0.264
R-free	0.32490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.999
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.530	2.700
High resolution limit [Å]	2.600	2.600
Rmerge		0.458
Number of reflections	13108
Completeness [%]	99.0	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	200 mM lithium sulfate, 100 mM Tris-HCl, 19-27% PEG800, 70 mM HEGA-8, anaerobic conditions, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K