1QWG

Crystal structure of Methanococcus jannaschii phosphosulfolactate synthase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-13
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9792
Spacegroup name	P 21 3
Unit cell lengths	93.789, 93.789, 93.789
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.700 *
R-factor	0.17381
Rwork	0.173
R-free	0.19200 *
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.290 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	REFMAC (5.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	1.660
High resolution limit [Å]	1.700 *	1.700 *
Rmerge	0.280	0.201
Total number of observations	446003 *
Number of reflections	31689 *
<I/σ(I)>	28.4	4.7
Completeness [%]	88.5	68.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.4	298	1.6 M Ammonium sulfate, 100 mM succinate, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	Tris-HCl	10 (mM)
3	1	drop		1 (mM)
4	1	reservoir	ammonium sulfate	1.6 (M)
5	1	reservoir	succinate	100 (mM)	pH4.4