4A78

cytochrome c peroxidase M119W in complex with guiacol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2006-10-20
Detector	RIGAKU IMAGE PLATE
Spacegroup name	P 21 21 21
Unit cell lengths	51.000, 75.350, 106.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.830 - 2.010
R-factor	0.16991
Rwork	0.170
R-free	0.23240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v23
RMSD bond length	0.019
RMSD bond angle	1.900
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.980	2.120
High resolution limit [Å]	2.010	2.010
Rmerge	0.050	0.300
Number of reflections	24226
<I/σ(I)>	19.6	3.5
Completeness [%]	97.9	96.2
Redundancy	2.4	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1