5X6K

Crystal structure of 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	2016-04-15
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	P 41 21 2
Unit cell lengths	105.503, 105.503, 84.264
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.990
R-factor	0.1711
Rwork	0.169
R-free	0.20796
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z83
RMSD bond length	0.021
RMSD bond angle	2.417
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	2.060
High resolution limit [Å]	1.990	1.990
Rmerge		0.491
Number of reflections	33142
<I/σ(I)>	49.42
Completeness [%]	99.9	100
Redundancy	14.1	12.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2M lithium sulfate, 0.1M acetate pH4.5, 50% PEG 400