5TV8

A. aeolicus BioW with AMP-CPP and pimelate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2016-02-29
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 21 21 21
Unit cell lengths	68.576, 106.381, 113.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.550
R-factor	0.18659
Rwork	0.184
R-free	0.22932
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.265
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.560
High resolution limit [Å]	2.550	2.550
Number of reflections	27824
<I/σ(I)>	16.5
Completeness [%]	99.5
Redundancy	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282	20-30% PEG3350