4QBH

Crystal structure of a stable adenylate kinase variant AKlse5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-09
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	36.089, 75.360, 81.982
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.670
R-factor	0.17868
Rwork	0.176
R-free	0.22327
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zin
RMSD bond length	0.020
RMSD bond angle	2.199
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.980	1.740
High resolution limit [Å]	1.670	1.680
Number of reflections	49458
Completeness [%]	97.6	95.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	26.5% (w/v) polyethylene glycol 4000, 150mM magnesium acetate, 100mM sodium cacodylate pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K