1IB1

CRYSTAL STRUCTURE OF THE 14-3-3 ZETA:SEROTONIN N-ACETYLTRANSFERASE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	95
Detector technology	IMAGE PLATE
Collection date	2000-04-10
Detector	RIGAKU RAXIS IIC
Wavelength(s)	1.5418
Spacegroup name	P 1
Unit cell lengths	74.717, 75.078, 101.780
Unit cell angles	90.14, 90.06, 63.04

Refinement procedure

Resolution	20.000 - 2.700
R-factor	0.204
Rwork	0.204
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1A4O AND 1CJW
RMSD bond length	0.008
RMSD bond angle	1.550
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.780
High resolution limit [Å]	2.700	2.700
Rmerge	0.102	0.251
Total number of observations	78001 *
Number of reflections	44944
<I/σ(I)>	5.6	2.09
Completeness [%]	84.9	72
Redundancy	1.74	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	PEG 4000, magnesium chloride, lithium sulfate, DTT, EDTA, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	reservoir	Tris-HCl	20 (mM)
3	1	reservoir	PEG4000	30 (%(w/v))
4	1	reservoir		20 (mM)