6GUT

CRYSTAL STRUCTURE OF NON-TYPEABLE HAEMOPHILUS INFLUENZAE PROTEIN E AND PILA EXPRESSED AS A SINGLE-CHAIN CHIMERIC PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-06-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	128.618, 83.458, 59.049
Unit cell angles	90.00, 102.52, 90.00

Refinement procedure

Resolution	20.000 - 1.630
R-factor	0.179
Rwork	0.177
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE
RMSD bond length	0.008
RMSD bond angle	1.245
Data reduction software	XDS (March 15th 2012)
Data scaling software	XSCALE (March 15th 2012)
Phasing software	PHASER (2.3.0)
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.244	47.244	1.690
High resolution limit [Å]	1.630	6.310	1.630
Rmerge		0.046	0.543
Rmeas	0.074	0.055	0.649
Rpim	0.039	0.029	0.351
Number of reflections	75506	1349	7386
<I/σ(I)>	10.4	11.7	1.4
Completeness [%]	99.5	98.8	99.4
Redundancy	3.4	3.3	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	293	PEG4000, AMMONIUM SULPHATE, SODIUM ACETATE.