4QBG

Crystal structure of a stable adenylate kinase variant AKlse4

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	2013-09-28
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	68.817, 71.020, 45.555
Unit cell angles	90.00, 95.13, 90.00

Refinement procedure

Resolution	49.320 - 1.370
R-factor	0.18128
Rwork	0.179
R-free	0.22029
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mkg
RMSD bond length	0.026
RMSD bond angle	2.510
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]	50.000	1.420
High resolution limit [Å]	1.370	1.370
Number of reflections	44220
Completeness [%]	97.0	95.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	32% (w/v) polyethylene glycol 4000, 250mM MgCl2, 100mM Tris pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K