4PE8

Crystal structure of TatD in complex with trinucleotide DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE BL13B1
Synchrotron site	NSRRC
Beamline	BL13B1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-03-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	43.450, 52.871, 101.107
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.419 - 2.894
R-factor	0.1993
Rwork	0.195
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xwy
RMSD bond length	0.003
RMSD bond angle	0.718
Data reduction software	DENZO
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.000
High resolution limit [Å]	2.894	6.230	2.894
Rmerge	0.117	0.039	0.428
Total number of observations	30630
Number of reflections	5539
<I/σ(I)>	7.8
Completeness [%]	99.4	98.6	99.6
Redundancy	5.5	5.3	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	4% Tacsimate pH 4 and 12% PEG3350