6KII

photolyase from Arthrospira platensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	49.839, 106.791, 110.128
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.700 - 1.600
R-factor	0.1564
Rwork	0.155
R-free	0.17370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1np7
RMSD bond length	0.006
RMSD bond angle	0.958
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHENIX
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rmerge		0.581
Number of reflections	77674	3812
<I/σ(I)>	42	4.85
Completeness [%]	99.9	100
Redundancy	4.8
CC(1/2)	0.988

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	ammonium citrate dibasic, 20% (v/v) polyethylene glycol 3350