6QP4

Structure of 299-452 fragment of the UspA1 protein from Moraxella catarrhalis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.93927
Spacegroup name	P 1 21 1
Unit cell lengths	63.639, 44.565, 128.436
Unit cell angles	90.00, 92.07, 90.00

Refinement procedure

Resolution	46.000 - 2.500
R-factor	0.2152
Rwork	0.212
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3pr7
RMSD bond length	0.014
RMSD bond angle	1.492
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.010	2.650
High resolution limit [Å]	2.500	2.500
Rmeas	0.076	0.362
Number of reflections	25116	3950
<I/σ(I)>	16.66	4.74
Completeness [%]	98.4	96.8
Redundancy	3.7	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.9 M 1,6-Hexanediol, 0.1M Tris-HCl pH 8.5, 20mM magnesium chloride