5YCB

Crystal structure of notothenia coriiceps adenylate kinase variant

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	2017-07-29
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
Unit cell lengths	105.284, 105.284, 84.217
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.652 - 2.272
R-factor	0.1694
Rwork	0.167
R-free	0.21610
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x6k
RMSD bond length	0.008
RMSD bond angle	1.180
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.350
High resolution limit [Å]	2.270	2.270
Rpim	0.021	0.146
Number of reflections	22461	2192
<I/σ(I)>	38.63	6.97
Completeness [%]	100.0	100
Redundancy	23.2	20.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.26M Lithium sulfate, 45% PEG400, 0.1M Acetate pH4.0