10DA

Crystal structure of Pyrobaculum islandicum L7Ae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-15
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1
Unit cell lengths	38.852, 60.000, 60.710
Unit cell angles	87.13, 75.53, 84.24

Refinement procedure

Resolution	19.890 - 0.998
Rwork	0.136
R-free	0.15100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.453
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	REFMAC (5.8.0419)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.890	1.070
High resolution limit [Å]	0.998	0.998
Rmerge	0.045	0.922
Rmeas	0.027	0.548
Number of reflections	203846	37675
<I/σ(I)>	14.3	1.3
Completeness [%]	70.9	17.6
Redundancy	3.9	3.8
CC(1/2)	0.998	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	303	Crystals were grown by vapor diffusion in 100 mM Tris-bicine, pH 8.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 12.5% (v/v) MPD, 30 mM MgCl2, 30 mM CaCl2 at 303 K. Crystals were cryo-protected in 100 mM Tris-bicine, pH 8.5, 12.5% (w/v) PEG 1000, 12.5% (w/v) PEG 3350, 22.5% (v/v) MPD, 30 mM MgCl2, 30 mM CaCl2 and flash frozen with liquid nitrogen.