3GWI

Crystal Structure of Mg-ATPase Nucleotide binding domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I911-2
Synchrotron site	MAX II
Beamline	I911-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-28
Detector	MAR CCD 165 mm
Wavelength(s)	1.0379
Spacegroup name	P 41 21 2
Unit cell lengths	99.620, 99.620, 46.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.19214
Rwork	0.191
R-free	0.21981
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.158
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	27.630	1.610
High resolution limit [Å]	1.530	1.530
Rmerge	0.042	0.206
Number of reflections	33678
<I/σ(I)>	28.1	10.1
Completeness [%]	94.7	70
Redundancy	7.5	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	0.1M HEPES, 2% PEG 400, 2M ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K