4OSH

Crystal structure of the TAL effector dHax3 with NI RVD at 2.2 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0092
Spacegroup name	P 1 21 1
Unit cell lengths	84.529, 80.987, 89.083
Unit cell angles	90.00, 103.62, 90.00

Refinement procedure

Resolution	36.633 - 2.201
R-factor	0.207
Rwork	0.205
R-free	0.24600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v6t
RMSD bond length	0.008
RMSD bond angle	1.289
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	2.770	2.280
High resolution limit [Å]	2.200	2.610	2.200
Rmerge		0.242	0.588
Number of reflections	58921
<I/σ(I)>		7.4	2.4
Completeness [%]	99.9	99.7	90.5
Redundancy		3.6	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	10%-15% PEG 3350, 12% ethanol, 0.1M MES, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K