1QHB

VANADIUM BROMOPEROXIDASE FROM RED ALGA CORALLINA OFFICINALIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-06
Detector	MARRESEARCH
Spacegroup name	P 42 2 2
Unit cell lengths	201.915, 201.915, 178.109
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.300
Rwork	0.172
R-free	0.22700
Structure solution method	MIRAS
RMSD bond length	0.012
RMSD bond angle	0.031
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	REFMAC (WITH INPUT DM PHASES)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.157	0.513
Total number of observations	491505 *
Number of reflections	156862 *
<I/σ(I)>	6.6	2.3
Completeness [%]	96.8	95.2
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5	291 *	2M DIHYDROGEN PHOSPHATE, 0.1 M TRIS-HCL BUFFER, FINAL PH 5.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	reservoir	ammonium dihydrogen phosphate	2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)