1Q44

Crystal Structure of an Arabidopsis Thaliana Putative Steroid Sulfotransferase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	90
Detector technology	CCD
Collection date	2003-06-27
Detector	MARRESEARCH
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	91.477, 120.899, 74.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 * - 1.890 *
R-factor	0.19301
Rwork	0.191
R-free	0.22200 *
Structure solution method	MAD
Starting model (for MR)	built from MAD
RMSD bond length	0.020
RMSD bond angle	1.900 *
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000 *	1.970
High resolution limit [Å]	1.890 *	1.890 *
Rmerge	0.048	0.336
Number of reflections	32697
<I/σ(I)>	43.02	5.07
Completeness [%]	99.2	98.8
Redundancy	7.3	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Batch method *	6	24 *	Sodium Malonate, MES, pH 6.0, Micro-Batch, temperature 297K
1	Batch method *	6	24 *	Sodium Malonate, MES, pH 6.0, Micro-Batch, temperature 297K
1	Batch method *	6	24 *	Sodium Malonate, MES, pH 6.0, Micro-Batch, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	protein	15 (mg/ml)
2	1	1	sodium malonate	0.89 (M)
3	1	1	MES	44 (mM)	pH6.0