4JPL

Crystal structure of Cytochrome C Peroxidase W191G-Gateless in complex with 4-Azaindole

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	2011-06-07
Detector	ADSC QUANTUM 315r
Spacegroup name	P 21 21 21
Unit cell lengths	50.993, 75.392, 106.855
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.200 - 1.410
R-factor	0.1327
Rwork	0.131
R-free	0.15750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.748
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall
Low resolution limit [Å]	61.550
High resolution limit [Å]	1.410
Number of reflections	77659

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 100mM 4-Azaindole, 25% MPD pH 4.5 (1h), vapor diffusion, sitting drop, temperature 283K