3WPR

Acinetobacter sp. Tol 5 AtaA N-terminal half of C-terminal stalk fused to GCN4 adaptors (CstalkN)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-09-17
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	71.390, 42.980, 118.070
Unit cell angles	90.00, 101.01, 90.00

Refinement procedure

Resolution	38.632 - 1.899
R-factor	0.2383
Rwork	0.236
R-free	0.27890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yny 3wpa
RMSD bond length	0.004
RMSD bond angle	0.689
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.632		2.010
High resolution limit [Å]	1.899	5.640	1.900
Rmerge		0.020	0.694
Rmeas		0.024	0.823
Number of reflections	55815	2246	8788
<I/σ(I)>		54.22	1.85
Completeness [%]	99.4	98.5	98.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	298	0.13M Na-acetate, 0.66M Na-citrate, 6.7% PEG 4000, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K