4JLD

Crystal Structures of adenylate kinase with 2 ADP's

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	66.640, 70.540, 85.880
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.096 - 1.552
R-factor	0.1871
Rwork	0.185
R-free	0.22940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.215
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_865)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.940	42.940	1.640
High resolution limit [Å]	1.550	4.910	1.550
Number of reflections	57677
<I/σ(I)>	8.1	18.6	1.4
Completeness [%]	97.6	97.9	93.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	295	0.1M Sodium Acetate trihydrate, 0.2M Ammonium Acetate, 30% w/v Polyethylene Glycol 4000, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K