1VNH

CHLOROPEROXIDASE FROM THE FUNGUS CURVULARIA INAEQUALIS: MUTANT H496A

Experimental procedure

Temperature [K]	287
Collection date	1998-06
Spacegroup name	H 3
Unit cell lengths	131.340, 131.340, 112.660
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.110
R-factor	0.188 *
Rwork	0.190
R-free	0.21900 *
Structure solution method	OTHER
RMSD bond length	0.006
RMSD bond angle	1.620
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.160
High resolution limit [Å]	2.110	2.110
Rmerge	0.087 *	0.447 *
Total number of observations	112709 *
Number of reflections	40714
<I/σ(I)>	7	0.6
Completeness [%]	97.6	75.6
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	4 *	pH 8.0

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5 (mg/ml)
2	1	drop	MOPS	5 (mM)
3	1	drop	vanadate	1 (mM)
4	1	reservoir	ammonium sulfate	0.85 (M)
5	1	reservoir	Tris-H2SO4	0.05 (M)
6	1	reservoir	sodium vanadate	0.5 (mg/ml)
7	1	reservoir	l-cysteine	0.05 (M)