7ZCK

Room temperature crystal structure of PhnD from Synechococcus MITS9220 in complex with phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2020-12-02
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	65.027, 40.683, 106.513
Unit cell angles	90.00, 92.78, 90.00

Refinement procedure

Resolution	53.170 - 1.800
R-factor	0.15352
Rwork	0.151
R-free	0.19705
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7s6g
RMSD bond length	0.011
RMSD bond angle	1.629
Data reduction software	xia2.multiplex
Data scaling software	xia2.multiplex
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.170	1.820
High resolution limit [Å]	1.800	1.800
Rmerge	0.116	1.387
Number of reflections	26032	1271
<I/σ(I)>	14.4	1
Completeness [%]	99.8	97.02
Redundancy	8.7	5.5
CC(1/2)	0.998	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris pH 8.5, 25 % PEG 3350