3ATJ

HEME LIGAND MUTANT OF RECOMBINANT HORSERADISH PEROXIDASE IN COMPLEX WITH BENZHYDROXAMIC ACID

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1997-06-01
Detector	RIGAKU
Spacegroup name	P 1 21 1
Unit cell lengths	75.105, 62.283, 78.160
Unit cell angles	90.00, 104.31, 90.00

Refinement procedure

Resolution	50.000 - 2.200
Rwork	0.174
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2atj
RMSD bond length	0.006
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.095	0.255
Number of reflections	32731
<I/σ(I)>	10	3
Completeness [%]	92.2	92.1
Redundancy	2.2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.5		pH 6.5