5YCF

Crystal structure of Xiphophorus maculatus 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)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	41.033, 79.779, 122.386
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.889 - 1.938
R-factor	0.1872
Rwork	0.184
R-free	0.24650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5x6k
RMSD bond length	0.007
RMSD bond angle	1.119
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	2.020
High resolution limit [Å]	1.950	1.950
Rpim	0.055	0.252
Number of reflections	30295	2943
<I/σ(I)>	12.81	2.52
Completeness [%]	99.2	98.9
Redundancy	7.2	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.1M Citric acid, pH 3.5, 27.5% PEG3350