4JLP

Crystal structure of R150K aquifex adenylate kinase 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)	0.9999
Spacegroup name	P 21 21 21
Unit cell lengths	67.010, 70.460, 85.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.064 - 1.433
R-factor	0.155
Rwork	0.153
R-free	0.19490
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.253
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]	36.570	36.570	1.510
High resolution limit [Å]	1.430	4.530	1.430
Rmerge		0.037	0.268
Number of reflections	75039
<I/σ(I)>	17.5	32.1	4.3
Completeness [%]	99.9	99	99.8

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