1D8H

X-RAY CRYSTAL STRUCTURE OF YEAST RNA TRIPHOSPHATASE IN COMPLEX WITH SULFATE AND MANGANESE IONS.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	1999-08-08
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	116.436, 118.723, 85.138
Unit cell angles	90.00, 108.06, 90.00

Refinement procedure

Resolution	25.000 - 2.000
Rwork	0.229
R-free	0.31000
RMSD bond length	0.033
RMSD bond angle	2.700
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.066	0.261
Number of reflections	63710
<I/σ(I)>	14.6
Completeness [%]	88.1	72.2
Redundancy	2.3	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.34	22 *	drop solution was mixed with an equal volume of reservoir solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	28 (mg/ml)
2	1	reservoir	MES	0.1 (M)
3	1	reservoir	ammonium sulfate	38 (%sat)
4	1	reservoir	dithiothreitol	5 (mM)