5F51

Structure of B. abortus WrbA-related protein A (apo)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 42 2 2
Unit cell lengths	61.280, 61.280, 128.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.318 - 2.530
R-factor	0.2405
Rwork	0.239
R-free	0.26800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3b6i
RMSD bond length	0.003
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	xia2
Phasing software	PHENIX (1.9_1692)
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.320	2.620
High resolution limit [Å]	2.530	2.530
Rmerge	0.063	0.698
Number of reflections	8704
<I/σ(I)>	23.54	4.1
Completeness [%]	99.7	99.6
Redundancy	12.7	13.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292	100 mM Sodium Acetate pH4.6, 300 mM Ammonium Sulfate, 20% PEG 2000 MME