6ORU

Crystal structure of Bira from S. aureus in complex with a acylsulfamide analogue of biotinyl-5'-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-06-06
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 42 21 2
Unit cell lengths	92.540, 92.540, 128.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.932 - 2.392
R-factor	0.1893
Rwork	0.187
R-free	0.22690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6apw
RMSD bond length	0.008
RMSD bond angle	0.873
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.932	2.480
High resolution limit [Å]	2.390	2.390
Number of reflections	22803	5001
<I/σ(I)>	15.65
Completeness [%]	99.9
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	14% PEG 8000, 0.1 M Tris pH 8.5, 10% glycerol