3EHG

Crystal structure of the ATP-binding domain of DesK in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2008-02-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	40.379, 49.078, 81.436
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.030 - 1.740
R-factor	0.167
Rwork	0.164
R-free	0.21500
Structure solution method	SAD
RMSD bond length	0.022
RMSD bond angle	1.946
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	SHARP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.035	22.530	1.820
High resolution limit [Å]	1.737	5.460	1.737
Rmerge	0.078	0.032	0.504
Total number of observations		2662	9812
Number of reflections	17082
<I/σ(I)>	8.616	19.3	1.4
Completeness [%]	97.0	96	84.5
Redundancy	4.8	4.4	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	293	pH 9, vapor diffusion, hanging drop, temperature 293K