4OGM

MBP-fusion protein of PilA1 residues 26-159

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	298
Detector technology	CCD
Collection date	2013-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	66.224, 74.710, 97.517
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.264 - 2.234
R-factor	0.1911
Rwork	0.186
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.108
Data scaling software	Aimless (0.1.26)
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.264	39.260	2.310
High resolution limit [Å]	2.230	8.930	2.230
Rmerge	0.212	0.013	0.013
Total number of observations		5347	20946
Number of reflections	23856
<I/σ(I)>	13.5	59.7	1.9
Completeness [%]	98.8	98.9	87.4
Redundancy	14.1	12	11.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	277	25% PEG3350, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K