5JXU

Structural basis for the catalytic activity of Thermomonospora curvata heme-containing DyP-type peroxidase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-25
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	77.296, 92.319, 97.187
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.913 - 1.751
R-factor	0.1704
Rwork	0.165
R-free	0.22480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gt2
RMSD bond length	0.024
RMSD bond angle	2.206
Data reduction software	HKL-2000 (2.3.8)
Data scaling software	HKL-2000 (2.3.8)
Phasing software	PHENIX (dev_1839)
Refinement software	PHENIX ((dev_2386: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.751	1.751
Rmerge	0.080
Rpim		0.704
Number of reflections	70570
<I/σ(I)>	9.2	1
Completeness [%]	100.0
Redundancy	13.6	8
CC(1/2)		0.415

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	100 mM Sodium succinate, 15% (w/v) PEG3350