1NAS

SEPIAPTERIN REDUCTASE COMPLEXED WITH N-ACETYL SEROTONIN

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	280
Collection date	1996-10-23
Spacegroup name	P 65 2 2
Unit cell lengths	116.960, 116.960, 105.210
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.100
R-factor	0.166
Rwork	0.166
R-free	0.20200
RMSD bond length	0.008
RMSD bond angle	1.738
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000
High resolution limit [Å]	2.100
Rmerge	0.061 *
Total number of observations	167681 *
Number of reflections	23193
Completeness [%]	93.2	88.4 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion *	6.5 *	4 *	pH 4.7

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5.5 (mg/ml)
2	1	drop	MES	20 (mM)
3	1	drop	dithiothreitol	1 (mM)
4	1	drop	NADP	10 (mM)
5	1	reservoir	ammonium sulfate	1.5 (M)
6	1	reservoir	citrate	0.1 (M)