5XRU

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	2017-05-19
Detector	ADSC QUANTUM 270
Wavelength(s)	0.97933
Spacegroup name	P 41 21 2
Unit cell lengths	105.435, 105.435, 83.753
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
R-factor	0.17663
Rwork	0.175
R-free	0.21138
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x6k
RMSD bond length	0.022
RMSD bond angle	2.421
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.090	0.781
Number of reflections	37833	3703
<I/σ(I)>	24.9
Completeness [%]	99.9	100
Redundancy	7.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	200mM lithium sulfate, 100mM acetate pH4.0, 41% PEG 400