5TSG

PilB from Geobacter metallireducens bound to ADP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-28
Detector	RAYONIX MX-300
Wavelength(s)	0.97949322
Spacegroup name	P 32 2 1
Unit cell lengths	112.120, 112.120, 299.180
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.549 - 3.401
R-factor	0.2741
Rwork	0.273
R-free	0.28960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p9r
RMSD bond length	0.017
RMSD bond angle	1.452
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.549	3.520
High resolution limit [Å]	3.401	3.401
Rmerge		0.940
Number of reflections	23642
<I/σ(I)>	12.7	2.78
Completeness [%]	77.0	12
Redundancy	8.8	10.3
CC(1/2)	0.998	0.854

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	Tris-HCl Formate NaCl PEG3350