1DGH

HUMAN ERYTHROCYTE CATALASE 3-AMINO-1,2,4-TRIAZOLE COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	200
Detector technology	IMAGE PLATE
Collection date	1999-03-06
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	84.028, 140.639, 231.346
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.177
Rwork	0.173
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dgf
RMSD bond length	0.007
RMSD bond angle	1.300
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]	30.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.047 *	0.156 *
Total number of observations	449780 *
Number of reflections	173373
<I/σ(I)>	17.3	5.2
Completeness [%]	93.8	92.8
Redundancy	2.6	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	8	298	6.5 - 8.0% PEG4000, PROTEIN AT 40 MG/ML IN 50MM TRISCL, PH 8.0, VAPOR DIFFUSION, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	reservoir	PEG4000	6.5-8.0 (%)