4JKY

Cobalt between two ADP's in the active site of adenylate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.608600
Spacegroup name	P 21 21 21
Unit cell lengths	67.550, 73.530, 87.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.463 - 2.373
R-factor	0.2025
Rwork	0.199
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.276
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.280	2.500
High resolution limit [Å]	2.370	2.370
Rmerge		0.198
Number of reflections	18108
<I/σ(I)>	25.6
Completeness [%]	99.7	97.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	298	0.1M Sodium Acetate trihydrate, 0.2M Ammonium Acetate, 30% w/v Polyethylene Glycol 4000, ADP(17.3mM) and CoCl2(41.2mM), pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K