4JLO

Crystal structure of Aquifex adenylate kinase R150K mutant

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)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	67.170, 71.010, 85.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.421 - 1.730
R-factor	0.1637
Rwork	0.161
R-free	0.21030
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.222
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.7.2_865)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	1.820
High resolution limit [Å]	1.730	1.730
Rmerge		0.123
Number of reflections	43939
<I/σ(I)>	18.1	6.5
Completeness [%]	99.9	100

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