3ZH7

The structure of crystal form II of Haemophilus influenzae protein E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-3
Synchrotron site	MAX II
Beamline	I911-3
Temperature [K]	100
Detector technology	CCD
Collection date	2011-06-30
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 1 21 1
Unit cell lengths	54.670, 42.490, 56.800
Unit cell angles	90.00, 116.31, 90.00

Refinement procedure

Resolution	28.298 - 2.102
R-factor	0.2035
Rwork	0.201
R-free	0.25840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.029
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.000
High resolution limit [Å]	2.100	2.100
Rmerge	0.060	0.460
Number of reflections	12867
<I/σ(I)>	11.94	2.03
Completeness [%]	91.4	79.8
Redundancy	2.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				100 MM BISTRIS PROPANE PH 6.5, 200 MM NAI AND 20% W/V POLYETHYLENE GLYCOL 3350