6OKV

PilT4 from Geobacter metallireducens bound to AMP-PNP: C2ccocco conformation

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	PIXEL
Collection date	2018-05-27
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	98.510, 127.130, 187.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.255 - 4.007
R-factor	0.2451
Rwork	0.243
R-free	0.27980
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jvv
RMSD bond length	0.009
RMSD bond angle	1.059
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.255	4.100
High resolution limit [Å]	4.000	4.000
Number of reflections	12264	1745
<I/σ(I)>	4
Completeness [%]	98.0
Redundancy	3.3
CC(1/2)	0.989	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.9	293	1 mM AMP-PNP (ANP) 1 mM MgCl2 100 mM NaCl 25 mM Hepes pH 8.0 1 % (w/v) benzamidine-HCl 50 mM Hepes pH 7.9 100 mM Ammonium acetate 8.75 % (w/v) PEG3350