1M15

Transition state structure of arginine kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12B
Synchrotron site	NSLS
Beamline	X12B
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-22
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	65.393, 70.312, 80.319
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.200
R-factor	0.127
Rwork	0.125
R-free	0.12250 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bgo
RMSD bond length	0.013 *
RMSD bond angle	1.330 *
Data reduction software	DENZO (SUITE (DENZO)
Data scaling software	SCALEPACK (SUITE (DENZO)
Phasing software	CNS
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.230
High resolution limit [Å]	1.200	1.200
Rmerge	0.048 *	0.323 *
Total number of observations	1112071 *
Number of reflections	115910
<I/σ(I)>	24	2.1
Completeness [%]	96.2	71.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *		Zhou, G., (1997) Protein Sci., 6, 444. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	15-20 (%)	pH7.5