7S6G

Crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I23
Synchrotron site	Diamond
Beamline	I23
Temperature [K]	50
Detector technology	PIXEL
Collection date	2020-02-28
Detector	DECTRIS PILATUS 12M
Wavelength(s)	3.09960, 2.7552, 4.8621, 5.1660
Spacegroup name	C 1 2 1
Unit cell lengths	63.590, 40.670, 106.680
Unit cell angles	90.00, 92.13, 90.00

Refinement procedure

Resolution	106.606 - 2.020
Rwork	0.153
R-free	0.17630
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.725
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	CRANK2
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	106.606	101.200	1.840
High resolution limit [Å]	1.800	8.990	1.800
Rmerge	0.062	0.030	0.580
Rmeas	0.068	0.033	0.714
Rpim	0.027	0.012	0.408
Number of reflections	18073	228	1308
<I/σ(I)>	17.1
Completeness [%]	69.8
Redundancy	10.3	12	5.1
CC(1/2)	0.999	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	295	0.1M Tris pH 8.5, 25 % PEG 3350, 30 % Ethylene Glycol