3CVX

Drosophila melanogaster (6-4) photolyase H369M mutant bound to ds DNA with a T-T (6-4) photolesion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	90
Detector technology	CCD
Collection date	2008-02-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97895
Spacegroup name	P 21 21 21
Unit cell lengths	87.410, 89.040, 90.160
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.960 - 3.200
R-factor	0.23267
Rwork	0.230
R-free	0.28166
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.006
RMSD bond angle	0.956
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.300
High resolution limit [Å]	3.200	3.200
Rmerge	0.086	0.327
Number of reflections	11606
<I/σ(I)>	15.1	4.8
Completeness [%]	96.0	90.8
Redundancy	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	293	15-25% PEG1500, 0.1 M MIB buffer, pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	MIB buffer
2	1	2	MIB buffer
3	1	2	PEG1500