5YCD

Crystal structure of Poecilia reticulata adenylate kinase

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)	0.979933
Spacegroup name	P 21 21 21
Unit cell lengths	40.790, 81.505, 120.123
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.178 - 1.800
R-factor	0.1686
Rwork	0.167
R-free	0.20910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x6k
RMSD bond length	0.007
RMSD bond angle	1.193
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	1.860
High resolution limit [Å]	1.800	1.800
Rpim	0.027	0.193
Number of reflections	37999	3759
<I/σ(I)>	28.01	5.13
Completeness [%]	99.9	100
Redundancy	14.2	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	27.5% PEG3350, 0.1M Citric acid