6PSP

Adenylate kinase from Methanococcus igneus - AP5A bound form

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	2017-06-22
Detector	ADSC QUANTUM 210
Wavelength(s)	0.997933
Spacegroup name	P 1 21 1
Unit cell lengths	67.443, 122.627, 83.721
Unit cell angles	90.00, 100.20, 90.00

Refinement procedure

Resolution	33.189 - 2.252
R-factor	0.2167
Rwork	0.215
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.189	2.390
High resolution limit [Å]	2.250	2.250
Number of reflections	227650	7203
<I/σ(I)>	10.82
Completeness [%]	93.4	70.8
Redundancy	3.85	2.75
CC(1/2)	0.999	0.282

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	4mM AP5A 17% (w/v) polyethylene 33500, 250 mM sodium malonate