1QI9

X-RAY SIRAS STRUCTURE DETERMINATION OF A VANADIUM-DEPENDENT HALOPEROXIDASE FROM ASCOPHYLLUM NODOSUM AT 2.0 A RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	130
Detector technology	AREA DETECTOR
Collection date	1997-03-15
Detector	SIEMENS-NICOLET X100
Spacegroup name	P 43 21 2
Unit cell lengths	113.190, 113.190, 272.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.000 - 2.050
Rwork	0.165
R-free	0.21900
Structure solution method	SIRAS
RMSD bond length	0.014
RMSD bond angle	0.032
Data reduction software	CCP4 (SCALA)
Data scaling software	X-GEN
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.600	2.150
High resolution limit [Å]	2.050	2.050
Rmerge	0.061
Number of reflections	105643 *	13969 *
Completeness [%]	95.0	85.7
Redundancy	2.3	1.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8	298 *	2.0 M AMMONIUM SULPHATE, 50 MM TRIS/HCL, PH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris	1.9 (mM)
3	1	reservoir	ammonium sulfate	1.9-2.1 (M)
4	1	reservoir	Tris-HCl	50 (mM)