5X6L

Crystal structure of Notothenia coriiceps adenylate kinase variant

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	2016-09-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97940
Spacegroup name	P 41 21 2
Unit cell lengths	105.444, 105.444, 83.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.156 - 1.862
R-factor	0.1802
Rwork	0.179
R-free	0.20630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x6k
RMSD bond length	0.007
RMSD bond angle	1.180
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.930
High resolution limit [Å]	1.860	1.860
Rmerge		0.621
Number of reflections	40301
<I/σ(I)>	21.34
Completeness [%]	100.0	100
Redundancy	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.2M lithium sulfate, 0.1M acetate pH4.0, 45% PEG 400