1HQK

CRYSTAL STRUCTURE ANALYSIS OF LUMAZINE SYNTHASE FROM AQUIFEX AEOLICUS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-08-06
Detector	MARRESEARCH
Wavelength(s)	0.909
Spacegroup name	I 2 3
Unit cell lengths	180.820, 180.820, 180.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.600
R-factor	0.216 *
Rwork	0.216
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	2.026
Data reduction software	XDS
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.330	1.800
High resolution limit [Å]	1.600	1.600
Rmerge	0.054	0.467 *
Total number of observations	439597 *
Number of reflections	125145
<I/σ(I)>	14.45
Completeness [%]	97.4	94.6 *
Redundancy	3.44	2.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7 *	293	PEG4000, lithium sulfate, sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.6 (mg/ml)
2	1	drop	sodium potassium phosphate	50 (mM)	pH7.0
3	1	drop	sodium sulfite	0.5 (mM)
4	1	drop	EDTA	0.5 (mM)
5	1	reservoir	PEG4000	12 (%(w/v))
6	1	reservoir	lithium sulfate	0.1 (M)
7	1	reservoir	sodium citrate	0.1 (M)	pH5.6