1LS6

Human SULT1A1 complexed with PAP and p-Nitrophenol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH3R
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	2001-07-31
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 2
Unit cell lengths	72.800, 124.010, 44.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 1.900
R-factor	0.191
Rwork	0.181
R-free	0.20500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ID 1AQU
RMSD bond length	0.007
RMSD bond angle	1.300 *
Data reduction software	Crystal (Clear 1.3)
Data scaling software	CrystalClear (V. 1.3 (MSC/RIGAKU))
Phasing software	CNS (1.1)
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.890	2.020
High resolution limit [Å]	1.900	1.900
Rmerge	0.041 *	0.220 *
Total number of observations	82261 *
Number of reflections	31483
<I/σ(I)>	8.6	2.4
Completeness [%]	91.4 *	63.8 *
Redundancy	2.6	1.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	20 *	20% PEG 4000, 0.1M Tris, 10 mM DTT, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	PAP	45 (mM)
2	1	drop	pNP	5 (mM)
3	1	reservoir	Tris-HCl	0.1 (M)	pH8.0
4	1	reservoir	PEG4000	20 (%)