1IQU

Crystal structure of photolyase-thymine complex

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	113.099, 113.099, 142.554
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	25.000 - 2.200
R-factor	0.212
Rwork	0.211
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1IQR (native structure)
RMSD bond length	0.006
RMSD bond angle	1.300
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	2.280
High resolution limit [Å]	2.200	2.200
Rmerge		0.336
Number of reflections	25481
Completeness [%]	91.2	69.8

Crystallization Conditions

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