1N08

Crystal Structure of Schizosaccharomyces pombe Riboflavin Kinase Reveals a Novel ATP and Riboflavin Binding Fold

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-05-02
Detector	MARRESEARCH
Wavelength(s)	1.542
Spacegroup name	P 1
Unit cell lengths	41.235, 45.321, 52.849
Unit cell angles	89.70, 112.04, 98.41

Refinement procedure

Resolution	20.000 - 1.600
R-factor	0.2235
Rwork	0.220
R-free	0.25200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n06
RMSD bond length	0.008
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.640
High resolution limit [Å]	1.600	1.600
Rmerge	0.043 *	0.404 *
Number of reflections	42651
Completeness [%]	92.5 *	88.5 *
Redundancy	3.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	20 *	PEG 8000, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	20 (mM)	pH8.0
2	1	drop		100 (mM)
3	1	drop	protein	10 (mg/ml)
4	1	reservoir	MES-NaOH	0.1 (M)	pH6.5
5	1	reservoir	magnesium acetate	0.2 (M)
6	1	reservoir	PEG8000	20 (%(w/v))