4MYP

Structure of the central NEAT domain, N2, of the listerial Hbp2 protein complexed with heme

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-06-06
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 1 21 1
Unit cell lengths	32.730, 67.690, 58.480
Unit cell angles	90.00, 91.62, 90.00

Refinement procedure

Resolution	21.050 - 1.800
R-factor	0.196
Rwork	0.195
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	BUSTER-TNT (BUSTER 2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.050	1.850
High resolution limit [Å]	1.800	1.800
Rmerge	0.046	0.423
Number of reflections	22884
<I/σ(I)>	14.1	2.8
Completeness [%]	96.7	95.4
Redundancy	3.2	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6	298	100 mM MES (pH 6.0), 10 mM ZnCl2, 20% polyethylene glycol 6,000, vapor diffusion, temperature 298K, VAPOR DIFFUSION