9Q8F

Structure of the (6-4) photolyase of Caulobacter crescentus with K48A mutation in its dark adapted and oxidized state determined by synchrotron

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-02
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.87
Spacegroup name	P 21 21 21
Unit cell lengths	48.984, 102.102, 102.944
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.960 - 1.500
R-factor	0.1393
Rwork	0.138
R-free	0.16460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.003
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.960	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.091	0.629
Rmeas	0.095	0.658
Rpim	0.028	0.191
Number of reflections	82472	7750
<I/σ(I)>	21.94	4.95
Completeness [%]	98.7	94.29
Redundancy	11.9	11.4
CC(1/2)	0.993	0.905

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Tris, pH7.0 0.2M MgCl2 25% (w/v) PEG3350