4YVZ

Structure of Thermotoga maritima DisA in complex with 3'-dATP/Mn2+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-03-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.23953
Spacegroup name	P 4 21 2
Unit cell lengths	107.490, 107.490, 168.790
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	168.790 - 2.495
R-factor	0.167
Rwork	0.164
R-free	0.21890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3c1z
RMSD bond length	0.008
RMSD bond angle	1.103
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	168.800	2.560
High resolution limit [Å]	2.495	2.495
Rmerge	0.108	1.052
Number of reflections	65492
<I/σ(I)>	15.9	2.8
Completeness [%]	99.6	94.5
Redundancy	7.6	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		288	30% (v/v) MPD, 200 mM ammoniumacetate, 100 mM Tris-HCl