6PJW

Adenylate kinase from Methanococcus igneus - AMP 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	2016-11-05
Detector	ADSC QUANTUM 270
Wavelength(s)	0.979330
Spacegroup name	P 1 21 1
Unit cell lengths	88.770, 121.390, 121.040
Unit cell angles	90.00, 102.95, 90.00

Refinement procedure

Resolution	44.328 - 2.400
R-factor	0.2013
Rwork	0.200
R-free	0.24790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.566
Data reduction software	XDS (20170923)
Data scaling software	XSCALE (20170923)
Phasing software	PHENIX
Refinement software	PHENIX ((1.15.2_3472: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	2.540
High resolution limit [Å]	2.400	2.400
Number of reflections	92418	4948
<I/σ(I)>	9.85	0.74
Completeness [%]	94.5	72
Redundancy	7.1
CC(1/2)	0.996	0.249

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	4 mM AMP, 8% (w/v) polyethylene glycol 8000, 100 mM magnesium acetate, and 100 mM sodium acetate pH 4.5.