3TA5

Cobalt bound structure of an archaeal member of the LigD 3'-phosphoesterase DNA repair enzyme family

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	130
Detector technology	PIXEL
Collection date	2011-04-30
Detector	PSI PILATUS 6M
Wavelength(s)	1.282
Spacegroup name	P 1 21 1
Unit cell lengths	27.740, 58.400, 33.050
Unit cell angles	90.00, 102.55, 90.00

Refinement procedure

Resolution	24.565 - 1.520
R-factor	0.1597
Rwork	0.156
R-free	0.18860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ph4
RMSD bond length	0.009
RMSD bond angle	1.297
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: dev_833))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.240	1.600
High resolution limit [Å]	1.520	1.520
Number of reflections	15703
<I/σ(I)>		17.7
Completeness [%]	98.8	98.8
Redundancy		3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	Crystallization was carried out in hanging-drop vapor-diffusion setups with 1:1 mixtures of protein solution containing 0.7 mM Cko and 10 mM CoCl2 and reservoir solution containing 20% PEG 3350 and 0.2 M Na2HPO4 , pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K