1QGS

UDP-MAGNESIUM COMPLEX OF SPSA FROM BACILLUS SUBTILIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-09-01
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	47.420, 141.997, 81.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.18 *
Rwork	0.190
R-free	0.24000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qg8
RMSD bond length	0.016 *
RMSD bond angle	0.037 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.058	0.320
Number of reflections	18368
<I/σ(I)>	18.3	3.6
Completeness [%]	96.0	90
Redundancy	3.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8		Charnock, S.J., (1999) Acta Crystallogr., D55, 677. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	HEPES	100 (mM)
3	1	drop		200 (mM)
4	1	reservoir	PEG8000	15 (%(w/v))