4OST

Crystal structure of the S505C mutant of TAL effector dHax3

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	2012-07-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	81.120, 87.018, 87.906
Unit cell angles	90.00, 102.78, 90.00

Refinement procedure

Resolution	39.383 - 1.996
R-factor	0.2029
Rwork	0.201
R-free	0.23300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3v6t
RMSD bond length	0.007
RMSD bond angle	1.210
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.996
Number of reflections	80636
Completeness [%]	99.9

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