1N05

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	2001-08-14
Detector	MARRESEARCH
Wavelength(s)	1.542
Spacegroup name	P 61 2 2
Unit cell lengths	69.497, 69.497, 139.851
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.227
Rwork	0.221
R-free	0.26600 *
Structure solution method	MIR
RMSD bond length	0.010
RMSD bond angle	1.300 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELXS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.130
High resolution limit [Å]	2.100	2.100
Rmerge	0.099	0.342
Number of reflections	11946
Completeness [%]	97.3	97.3
Redundancy	8.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	20 *	PEG 8000, pH 6.5, 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))