6CUJ

Crystal structure of the C-terminal domain of neisserial heparin binding antigen (NHBA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	80
Detector technology	PIXEL
Collection date	2014-08-29
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.96862
Spacegroup name	P 41
Unit cell lengths	77.030, 77.030, 57.530
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.000 - 1.805
R-factor	0.1935
Rwork	0.191
R-free	0.23830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2lfu
RMSD bond length	0.007
RMSD bond angle	0.897
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.12_2829: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.000	1.910
High resolution limit [Å]	1.800	1.800
Rmeas	0.060
Number of reflections	31127	5025
<I/σ(I)>	13	2
Completeness [%]	99.9	99.9
Redundancy	4.6	4.7
CC(1/2)	0.990	0.840

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 3,350, 0.2 M Sodium thiocyanate