4MKH

Crystal structure of a stable adenylate kinase variant AKv18

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	2012-12-11
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9793
Spacegroup name	P 1 21 1
Unit cell lengths	44.194, 55.194, 46.375
Unit cell angles	90.00, 110.61, 90.00

Refinement procedure

Resolution	27.600 - 1.500
R-factor	0.17347
Rwork	0.171
R-free	0.21769
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mkg
RMSD bond length	0.027
RMSD bond angle	2.772
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge		0.653
Number of reflections	33460
<I/σ(I)>		2.1
Completeness [%]	99.7	100
Redundancy		3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	310.15	1.6M ammonium citrate pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 310.15K