2O0H

T4 gp17 ATPase domain mutant complexed with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2006-07-06
Detector	MARMOSAIC 300 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	61.213, 62.261, 126.617
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.630 - 1.880
R-factor	0.243
Rwork	0.235
R-free	0.24800
Structure solution method	SIRAS
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.920
High resolution limit [Å]	1.850	1.850
Rmerge	0.057	0.425
Number of reflections	41159
<I/σ(I)>	16.9	2.65
Completeness [%]	97.6	97.7
Redundancy	3.1	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	22% PEG 3350, 0.2M KNO3, 8% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	22% PEG 3350, 0.2M KNO3, 8% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K