6AQQ

Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	77
Detector technology	PIXEL
Collection date	2016-11-20
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95370
Spacegroup name	P 42 21 2
Unit cell lengths	93.600, 93.600, 130.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.859 - 2.710
R-factor	0.2194
Rwork	0.218
R-free	0.24410
RMSD bond length	0.005
RMSD bond angle	0.872
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall
Low resolution limit [Å]	41.859
High resolution limit [Å]	2.710
Number of reflections	15757
<I/σ(I)>	11.08
Completeness [%]	96.0
Redundancy	3.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	12% PEG 8000, 100 mM Tris-HCl pH 7.5 and 10% glycerol