1KI9

Adenylate kinase from Methanococcus thermolithotrophicus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-02-14
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 4 21 2
Unit cell lengths	128.500, 128.500, 88.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.780 - 2.760
R-factor	0.2041
Rwork	0.204
R-free	0.28700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1nks
RMSD bond length	0.007
RMSD bond angle	20.700 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	AMoRE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.760 *	2.760 *
Rmerge	0.060 *	0.175 *
Number of reflections	25623
Completeness [%]	95.1 *	94.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6 *	298	PEG 6000, MPD, HEPES, pH 7.5, 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	HEPES	0.1 (M)	pH4.6
5	1	reservoir	PEG6000	10 (%(w/v))
6	1	reservoir	MPD	5 (%(v/v))