4JL6

Crystal Structure 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 4
Wavelength(s)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	66.470, 71.560, 86.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.414 - 1.650
R-factor	0.2099
Rwork	0.208
R-free	0.24130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.237
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_860)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.150	43.150	1.740
High resolution limit [Å]	1.650	5.220	1.650
Rmerge		0.043	0.653
Number of reflections	49694
<I/σ(I)>	11.9	26.6	2
Completeness [%]	99.1	98.8	98

Crystallization Conditions

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