4GRC

Crystal structure of DyP-type peroxidase (SCO2276) from Streptomyces coelicolor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2010-08-22
Detector	RAYONIX MX-300
Wavelength(s)	0.97857
Spacegroup name	P 32 2 1
Unit cell lengths	71.990, 71.990, 170.810
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.283 - 2.000
R-factor	0.1613
Rwork	0.159
R-free	0.19750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2gvk
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8_1066)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	2.050
High resolution limit [Å]	2.000	8.940	2.000
Number of reflections	35482
<I/σ(I)>	19.09	54.97	4.28
Completeness [%]	100.0	96.8	100
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		282	Mother liqueur contained 0.2M CaCl2, 0.1M Hepes (pH 7.5) and 28% PEG400. Protein concentration was 15 mg/mL in a buffer containing 100 mM KCl and 50 mM Hepes 8.0. 0.5 uL protein was mixed with equal volume of mother liqueur, VAPOR DIFFUSION, HANGING DROP, temperature 282K