1H7L

dTDP-MAGNESIUM COMPLEX OF SPSA FROM BACILLUS SUBTILIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	1998-06-01
Detector	ADSC CCD
Spacegroup name	C 2 2 21
Unit cell lengths	47.320, 142.310, 81.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.980
R-factor	0.194
Rwork	0.192
R-free	0.22830 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1qgq
RMSD bond length	0.016
RMSD bond angle	1.700 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000	2.050
High resolution limit [Å]	1.980	1.980
Rmerge	0.083	0.410
Number of reflections	43230
<I/σ(I)>	18.2	3.5
Completeness [%]	100.0	100
Redundancy	5.3	5.4

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))