1MRY

crystal structure of an inactive akt2 kinase domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	170
Detector technology	CCD
Collection date	2001-01-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	P 41 21 2
Unit cell lengths	150.000, 150.000, 39.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	100.000 - 2.800
R-factor	0.227
Rwork	0.227
R-free	0.27700 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PKA in ternary complex
RMSD bond length	0.009
RMSD bond angle	1.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall
Low resolution limit [Å]	100.000
High resolution limit [Å]	2.800 *
Rmerge	0.055 *
Total number of observations	63147 *
Number of reflections	11332 *
Completeness [%]	98.3 *
Redundancy	4.46

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	4 *	Li2SO4, PEG 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	100 (mM)	pH8.5
3	1	drop		150 (mM)
4	1	drop	glycerol	10 (%)
5	1	drop	beta-mercaptoethanol	14 (mM)
6	1	reservoir	Tris	100 (mM)	pH8.5
7	1	reservoir		200 (mM)
8	1	reservoir	PEG4000	15 (%)