1CK6

BINDING MODE OF SALICYLHYDROXAMIC ACID TO ARTHROMYCES RAMOSUS PEROXIDASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	IMAGE PLATE
Detector	FUJI
Spacegroup name	P 42 21 2
Unit cell lengths	74.410, 74.410, 116.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	7.000 - 1.900
R-factor	0.163 *
Rwork	0.163
R-free	0.22800
Structure solution method	OTHER
Starting model (for MR)	1arp
RMSD bond length	0.019
RMSD bond angle	3.000
Data reduction software	PROCESS
Data scaling software	PROCESS
Phasing software	X-PLOR
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.000
High resolution limit [Å]	1.900	1.900
Rmerge	0.046	0.195
Total number of observations	119252 *
Number of reflections	24996
Completeness [%]	93.5	92
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	22-24 *	repeated seeding, Kunishima, N., (1993) Proteins: Struct.,Funct., Genet., 15, 216. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	ARP	20-40 (mg/ml)
2	1	reservoir	ammonium sulfate	32 (%sat)
3	1	reservoir	Tris-HCl	20 (mM)