1A88

CHLOROPEROXIDASE L

Experimental procedure

Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	283
Detector technology	IMAGE PLATE
Collection date	1995-03
Detector	MARRESEARCH
Spacegroup name	I 4
Unit cell lengths	176.500, 176.500, 64.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	130.000 - 1.900
R-factor	0.16
Rwork	0.160
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a8q
RMSD bond length	0.014
RMSD bond angle	0.029
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	130.000 *	1.990
High resolution limit [Å]	1.900	1.900
Rmerge	0.078	0.205
Number of reflections	65934
<I/σ(I)>	13.4	5.2
Completeness [%]	84.7	74.4
Redundancy	2	1.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.2	25 *	2.0 M AMMONIUM SULFATE 100MM TRIS/HCL PH 8.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	ammonium sulfate	2 (M)
2	1	reservoir	Tris-HCl	100 (mM)