3DKV

Crystal structure of adenylate kinase variant AKlse1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2007-11-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97297
Spacegroup name	P 21 21 21
Unit cell lengths	44.624, 62.056, 86.995
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.470 - 1.820
R-factor	0.177
Rwork	0.174
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1aky
RMSD bond length	0.014
RMSD bond angle	1.582
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.510	1.750
High resolution limit [Å]	1.690	1.690
Number of reflections	26423
Completeness [%]	95.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	277	25% PEG 4000, 400mM NaCl, 100 mM Na Acetate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K