3WPP

Acinetobacter sp. Tol 5 AtaA YDD-DALL3 domains in C-terminal stalk fused to GCN4 adaptors (CstalkC1iii)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E SUPERBRIGHT
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2013-03-13
Detector	RIGAKU RAXIS VII
Wavelength(s)	1.5418
Spacegroup name	H 3 2
Unit cell lengths	43.460, 43.460, 825.360
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.640 - 1.952
R-factor	0.1806
Rwork	0.179
R-free	0.20530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yo2
RMSD bond length	0.012
RMSD bond angle	1.380
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MOLREP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.640		2.070
High resolution limit [Å]	1.950	5.640	1.950
Rmerge		0.041	0.469
Rmeas		0.043	0.499
Number of reflections	23200	1102	3599
<I/σ(I)>		33.39	4.04
Completeness [%]	99.5	95.4	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	0.67% PEG 2000 MME, 67mM HEPES, 667mM Succinic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K