5TV6

A. aeolicus BioW with pimelate

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	2013-05-31
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 21 21 21
Unit cell lengths	68.486, 103.194, 113.805
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.829 - 2.456
R-factor	0.1917
Rwork	0.190
R-free	0.22980
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.272
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	autoSHARP
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.450	2.450
Number of reflections	30059
<I/σ(I)>	20.9
Completeness [%]	99.8
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		280	20-30% PEG4000