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Crystal structure of DNA photolyase from Thermus thermophilus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44B2
Synchrotron site	SPring-8
Beamline	BL44B2
Temperature [K]	298
Detector technology	CCD
Collection date	2000-03-03
Detector	MARRESEARCH
Wavelength(s)	0.7
Spacegroup name	P 61 2 2
Unit cell lengths	112.890, 112.890, 142.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.100
R-factor	0.214 *
Rwork	0.214
R-free	0.25100
Structure solution method	SIRAS
RMSD bond length	0.060
RMSD bond angle	1.200
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.061	0.277
Number of reflections	28567
Completeness [%]	89.5	74
Redundancy	3.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	4.6	298	sodium acetate, Ammonium phosphate, lithium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
1	Vapor diffusion *	4.6	298	sodium acetate, Ammonium phosphate, lithium sulfate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	100 (mM)	pH4.6
2	1	reservoir	ammonium dihydrogen phosphate	1.0 (M)
3	1	reservoir		100 (mM)