1KYY

Lumazine Synthase from S.pombe bound to nitropyrimidinedione

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	295
Detector technology	IMAGE PLATE
Collection date	2001-04-19
Detector	MARRESEARCH
Wavelength(s)	1.5418
Spacegroup name	C 2 2 21
Unit cell lengths	111.261, 145.044, 127.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.600 * - 2.400
R-factor	0.186
Rwork	0.183
R-free	0.21300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.430 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.579	2.530
High resolution limit [Å]	2.400	2.400
Rmerge	0.079 *	0.410 *
Number of reflections	39592 *
Completeness [%]	97.6	97.6 *
Redundancy	2.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7 *	295	citrate, ammonium dihydrogen phosphate, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	10 (mg/ml)
2	1	drop	potassium phosphate	20 (mM)	pH7.0
3	1	drop		50 (mM)
4	1	reservoir	citrate	0.1 (M)	pH4.9-5.2
5	1	reservoir	sodium formate	1.5 (M)