3DL0

Crystal structure of adenylate kinase variant AKlse3

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	2007-12-09
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	P 1 21 1
Unit cell lengths	34.003, 76.688, 77.993
Unit cell angles	90.00, 95.30, 90.00

Refinement procedure

Resolution	38.840 - 1.580
R-factor	0.202
Rwork	0.200
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3dkv
RMSD bond length	0.012
RMSD bond angle	1.508
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]	50.000	1.580
High resolution limit [Å]	1.530	1.530
Number of reflections	59416
Completeness [%]	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	29% PEG MME 2000, 100mM NaCl, 100mM HEPPS, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K