1KHT

Adenylate kinase from Methanococcus voltae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-09-12
Detector	MARRESEARCH
Wavelength(s)	1.037
Spacegroup name	I 2 3
Unit cell lengths	200.500, 200.500, 200.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.420 - 2.500
R-factor	0.2201
Rwork	0.220
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nks
RMSD bond length	0.006
RMSD bond angle	21.800 *
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.500	2.500 *
Rmerge	0.066 *	0.348 *
Number of reflections	39038
Completeness [%]	84.2 *	86.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	PEG 4000, sodium acetate, pH 4.6, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	AMP	3 (mM)
3	1	drop	ADP	3 (mM)
4	1	reservoir	sodium acetate/acetic acid	0.1 (M)	pH4.6
5	1	reservoir	PEG4000	8 (%)