5NQX

Structure of a fHbp(V1.1):PorA(P1.16) chimera. Fusion at fHbp position 294.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.97858
Spacegroup name	P 2 21 21
Unit cell lengths	94.850, 114.900, 160.340
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.636 - 3.660
R-factor	0.2348
Rwork	0.232
R-free	0.28150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ayd
RMSD bond length	0.002
RMSD bond angle	0.424
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.650	3.760
High resolution limit [Å]	3.660	3.660
Rmerge	0.187	0.833
Rpim	0.101	0.439
Number of reflections	19820	1431
<I/σ(I)>	7.6	1.9
Completeness [%]	99.3	99.9
Redundancy	4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	20% (w/v) PEG4000, 0.3M ammonium sulphate