4JLA

Crystal Structure of Adenylate kinase with 2 ADP's in the active site

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)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	66.940, 73.890, 87.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.900 - 2.120
R-factor	0.1892
Rwork	0.186
R-free	0.25620
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.234
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]	43.900	43.900	2.230
High resolution limit [Å]	2.120	6.700	2.120
Number of reflections	23143
<I/σ(I)>	7.8	18	1.8
Completeness [%]	91.1	99.6	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	291	0.1M Sodium Acetate trihydrate, 0.2M Ammonium Acetate, 30% w/v Polyethylene Glycol 4000 , pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K