5NM8

Structure of PipY, the COG0325 family member of Synechococcus elongatus PCC7942, with PLP bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-05-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	46.627, 98.937, 103.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.600 - 1.930
R-factor	0.19694
Rwork	0.195
R-free	0.23821
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB file 5NLC chain A
RMSD bond length	0.015
RMSD bond angle	1.666
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.600	1.970
High resolution limit [Å]	1.930	1.930
Rmerge	0.067	0.051
Rpim	0.020	0.016
Number of reflections	37132	2409
<I/σ(I)>	22.3	4.5
Completeness [%]	99.9	98.7
Redundancy	12.6	10.8
CC(1/2)	0.990	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	294	0.1 M Hepes-Na pH 7.5 0.2 M Calcium acetate 18% (wt/vol) Polyethylene glycol 8000