1KZM

Distal Heme Pocket Mutant (R38S/H42E) of Recombinant Horseradish Peroxidase C (HRP C).

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF
Synchrotron site	ESRF
Temperature [K]	120
Detector technology	CCD
Collection date	1999-12-08
Detector	MARRESEARCH
Wavelength(s)	0.934
Spacegroup name	P 21 21 21
Unit cell lengths	40.400, 66.700, 117.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.168
R-free	0.20300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6atj
RMSD bond length	0.005
RMSD bond angle	21.000 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.030
High resolution limit [Å]	2.000	2.000
Rmerge	0.059	0.185
Total number of observations	122607 *
Number of reflections	21058
Completeness [%]	95.1	95.8
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	283	PEG-8000, calcium acetate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 283K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4.9 (mg/ml)
2	1	reservoir	PEG8000	20 (%(w/v))
3	1	reservoir	cadmium acetate	0.2 (M)
4	1	reservoir	cacodylate	0.1 (M)	pH6.5