1IDQ

CRYSTAL STRUCTURE OF NATIVE VANADIUM-CONTAINING CHLOROPEROXIDASE FROM CURVULARIA INAEQUALIS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	289
Detector technology	IMAGE PLATE
Collection date	1995-03-14
Detector	HENDRIX-LENTFER
Wavelength(s)	1.5418
Spacegroup name	H 3
Unit cell lengths	131.720, 131.720, 112.460
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.030
Rwork	0.170
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1vnc
RMSD bond length	0.011
RMSD bond angle	22.860 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((AGROVATA)
Phasing software	CCP4
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.656	2.100
High resolution limit [Å]	2.031	2.030
Rmerge	0.104	0.564
Total number of observations	128746 *
Number of reflections	45791
<I/σ(I)>	5.5	1.3
Completeness [%]	97.5	80.4
Redundancy	2.4	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	21 *	Reservoir: 1.5 M ammonium sulfate, 0.1 M Tris-HCl; Protein drop: 7.5 microliter protein (8.7 mg/ml) in 5 mM Mops and 1 mM Na3VO4 plus 2.5 microliter reservoir solution, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6.5 (mg/ml)
2	1	drop	Mops	3.75 (mM)
3	1	drop		0.75 (M)
4	1	drop	ammonium sulfate	0.375 (M)
5	1	drop	Tris-HCl	0.025 (M)
6	1	drop		0.005 (%)
7	1	reservoir	ammonium sulfate	1.6 (M)
8	1	reservoir	Tris-HCl	0.1 (M)
9	1	reservoir		0.02 (%)