6GUS

CRYSTAL STRUCTURE OF PROTEIN E FROM NON-TYPEABLE HAEMOPHILUS INFLUENZAE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-02-13
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9173
Spacegroup name	I 41
Unit cell lengths	77.670, 77.670, 66.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.920
R-factor	0.1872
Rwork	0.185
R-free	0.24440
Structure solution method	MIR
RMSD bond length	0.009
RMSD bond angle	1.368
Data reduction software	XDS (December 31, 2011)
Data scaling software	XSCALE (December 31, 2011)
Phasing software	SHARP (2.9.2BETA)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.751	30.751	1.970
High resolution limit [Å]	1.920	8.590	1.920
Rmerge		0.022	0.466
Rmeas	0.034	0.027	0.545
Rpim	0.013	0.010	0.201
Number of reflections	14861	174	1084
<I/σ(I)>	28.1	24.9	1.7
Completeness [%]	98.6	95.9	97.6
Redundancy	6.9	6.9	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	PEG3350, AMMONIUM SULPHATE, SODIUM ACETATE.