10CZ

Crystal structure of Pyrobaculum aerophilum 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	2016-03-16
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 1 21 1
Unit cell lengths	66.513, 94.890, 128.318
Unit cell angles	90.00, 93.10, 90.00

Refinement procedure

Resolution	19.950 - 1.452
Rwork	0.170
R-free	0.18650
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.676
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]	19.950	1.530
High resolution limit [Å]	1.450	1.450
Rmerge	0.052	0.775
Rmeas	0.058	0.873
Number of reflections	239142	11926
<I/σ(I)>	13.8	1.7
Completeness [%]	85.5	28.7
Redundancy	4.6	4.7
CC(1/2)	0.998	0.699

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	Crystals were grown by vapor diffusion in 100 mM sodium acetate, pH 4.6, 2 M ammonium sulfate at 295 K. Crystals were cryo-protected in 100 mM sodium acetate, pH 4.6, 2 M ammonium sulfate, 20% (v/v) glycerol and flash frozen with liquid nitrogen.