4JM8

Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 2,6-diaminopyridine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	80
Detector technology	CCD
Collection date	2009-06-16
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	50.843, 74.519, 106.464
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.050 - 1.300
R-factor	0.118
Rwork	0.117
R-free	0.13680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.691
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	61.080
High resolution limit [Å]	1.300
Number of reflections	98290

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	283	Apo crystal grown in 500mM MES, pH 6.0. Soaked into 50mM 2,6-diaminopyridine, 25% MPD pH 4.5 (30min-1h), vapor diffusion, sitting drop, temperature 283K, VAPOR DIFFUSION, SITTING DROP