5IT5

Thermus thermophilus PilB core ATPase region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-12
Detector	ADSC QUANTUM 315
Wavelength(s)	1.276396
Spacegroup name	P 2 21 21
Unit cell lengths	107.550, 133.560, 208.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.289 - 2.648
R-factor	0.2104
Rwork	0.208
R-free	0.27350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1p9r
RMSD bond length	0.011
RMSD bond angle	1.354
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.290	2.740
High resolution limit [Å]	2.648	2.650
Rmerge	0.124
Number of reflections	87967
<I/σ(I)>	5.83
Completeness [%]	100.0
Redundancy	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Magnesium chloride, bis-tris, PEG 3350