4JL5

A high resolution structure of Aquifex Adenylate kinase with 2 ADP's

Experimental procedure

Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.99186
Spacegroup name	P 21 21 21
Unit cell lengths	66.170, 69.560, 85.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.960 - 1.240
R-factor	0.1317
Rwork	0.130
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.501
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	28.960	1.310
High resolution limit [Å]	1.240	1.240
Rmerge		0.427
Number of reflections	111370
<I/σ(I)>	22.1	5.7
Completeness [%]	99.4	96.2

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, 20mM MgCl2, 20mM ADP , pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K