5NLC

Structure of PipY, the COG0325 family member of Synechococcus elongatus PCC7942,without PLP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-15
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 1 21 1
Unit cell lengths	67.618, 41.778, 77.761
Unit cell angles	90.00, 108.15, 90.00

Refinement procedure

Resolution	44.610 - 1.900
R-factor	0.15963
Rwork	0.157
R-free	0.20744
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w8g
RMSD bond length	0.018
RMSD bond angle	1.835
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]	44.610	1.940
High resolution limit [Å]	1.900	1.900
Rmerge	0.045
Rpim	0.023	0.170
Number of reflections	32801	2072
<I/σ(I)>	20.6	4
Completeness [%]	99.7	99.2
Redundancy	4.6	3.8
CC(1/2)	0.998	0.935

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	294	0.1 M Tris-HCl, pH 8.5 0.2 M Magnesium chloride 25% (wt/vol) Polyethylene glycol 3350