5TSH

PilB from Geobacter metallireducens bound to AMP-PNP

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)	0.97949322119491544
Spacegroup name	P 1
Unit cell lengths	74.320, 99.960, 109.790
Unit cell angles	112.99, 106.60, 88.91

Refinement procedure

Resolution	45.755 - 2.300
R-factor	0.1843
Rwork	0.184
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p9r
RMSD bond length	0.004
RMSD bond angle	0.534
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]	48.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge		0.430
Number of reflections	253982
<I/σ(I)>	5.8	2
Completeness [%]	96.0	95
Redundancy	2.1	2.1
CC(1/2)	0.995	0.639

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	PEG3350, magnesium formate, Tris pH 7.0