1VRP

The 2.1 Structure of T. californica Creatine Kinase Complexed with the Transition-State Analogue Complex, ADP-Mg 2+ /NO3-/Creatine

Replaces:  1N16

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]	108
Detector technology	CCD
Collection date	2002-02-22
Detector	ADSC QUANTUM 4
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	70.634, 87.189, 127.596
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.420 - 2.100
R-factor	0.26
Rwork	0.242
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qh4
RMSD bond length	0.011
RMSD bond angle	1.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.420	2.230
High resolution limit [Å]	2.100	2.100
Rmerge	0.050	0.200
Number of reflections	42682
<I/σ(I)>	21.9	10
Completeness [%]	91.3	94
Redundancy	9.7	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	291	0.01M nickel, chloride hexahydrate, 0.1 M Tris, pH 8.0, and 16% w/v PEG 2000, VAPOR DIFFUSION, HANGING DROP, temperature 291K