1QGQ

UDP-MANGANESE COMPLEX OF SPSA FROM BACILLUS SUBTILIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	100
Detector technology	CCD
Collection date	1998-06-01
Detector	ADSC
Spacegroup name	C 2 2 21
Unit cell lengths	47.330, 142.360, 81.240
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.750 *
R-factor	0.17 *
Rwork	0.160
R-free	0.23000 *
Structure solution method	MIR
RMSD bond length	0.011 *
RMSD bond angle	0.028 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	18.000 *	1.580
High resolution limit [Å]	1.750 *	1.750 *
Rmerge	0.062 *	0.370 *
Number of reflections	43230
<I/σ(I)>	22.5	3.1
Completeness [%]	99.0 *	100 *
Redundancy	5.5 *	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))