4TYQ

Crystal structure of an adenylate kinase mutant--AKm2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2014-05-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97960
Spacegroup name	P 1
Unit cell lengths	39.003, 48.790, 54.832
Unit cell angles	90.98, 97.34, 95.83

Refinement procedure

Resolution	50.000 - 1.650
R-factor	0.17747
Rwork	0.175
R-free	0.21860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1zio
RMSD bond length	0.021
RMSD bond angle	2.246
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.710
High resolution limit [Å]	1.650	1.650
Rmerge	0.074	0.198
Number of reflections	45746
<I/σ(I)>	8.4	4.6
Completeness [%]	95.7	92.3
Redundancy	1.9	1.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% (w/v) polyethylene glycol 3350, 200mM calcium chloride