5FD8

Crystal Structure of MccF-like Protein (BA_5613) in complex with ASA (alanyl sulfamoyl adenylates)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	58.777, 83.683, 130.845
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.309 - 2.050
R-factor	0.1708
Rwork	0.169
R-free	0.20040
Structure solution method	SAD
RMSD bond length	0.003
RMSD bond angle	0.731
Data scaling software	HKL-3000
Phasing software	SHELX
Refinement software	PHENIX (dev_1888)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.310	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.120	0.790
Number of reflections	37167
<I/σ(I)>	9	2.2
Completeness [%]	90.0
Redundancy	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.8	293	30.0 % w/v PEG 3000 50 mM Bicine