6JDE

crystal structure of a DNA repair protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2017-11-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	80.515, 78.455, 110.587
Unit cell angles	90.00, 98.50, 90.00

Refinement procedure

Resolution	19.953 - 2.800
R-factor	0.2289
Rwork	0.228
R-free	0.24020
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.962
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	AutoSol
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.880
High resolution limit [Å]	2.800	2.800
Rmeas	0.105	0.616
Number of reflections	33119
<I/σ(I)>	14.4
Completeness [%]	97.8
Redundancy	6.2
CC(1/2)	0.990	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	18% PEG3350, 500mM Nacl