2X08

cytochrome c peroxidase: ascorbate bound to the engineered ascorbate binding site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2008-01-10
Detector	RIGAKU-MSC
Spacegroup name	P 21 21 21
Unit cell lengths	51.000, 74.490, 106.470
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.920 - 2.010
R-factor	0.20148
Rwork	0.201
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2v23
RMSD bond length	0.017
RMSD bond angle	1.637
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.480	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.090	0.350
Number of reflections	25406
<I/σ(I)>	14.1	1.7
Completeness [%]	97.3	98.5
Redundancy	2.9	2.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6		DIALYSIS AGAINST PHOSPHATE BUFFER 50 MM PH 6, MPD 30%