3SKY

2.1A crystal structure of the phosphate bound ATP binding domain of Archaeoglobus fulgidus COPB

Experimental procedure

Experimental method	MAR325
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2011-05-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97900
Spacegroup name	P 2 21 21
Unit cell lengths	35.761, 62.909, 106.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	106.540 - 2.100
R-factor	0.21673
Rwork	0.214
R-free	0.26410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.284
Data reduction software	CrystalClear
Data scaling software	CrystalClear
Phasing software	Starting (Model)
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	106.540	2.170
High resolution limit [Å]	2.100	2.100
Rmerge	0.045	0.269
Number of reflections	14659
<I/σ(I)>	18.7	4.8
Completeness [%]	99.6	98
Redundancy	6.81	6.69

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.2M CH3COONH4, 0.1 M Tris pH 8.5, 25 % w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K