6ERC

Peroxidase A from Dictyostelium discoideum (DdPoxA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.072
Spacegroup name	P 31 2 1
Unit cell lengths	128.253, 128.253, 146.015
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.672 - 2.500
R-factor	0.228760684094
Rwork	0.228
R-free	0.25674
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.547
Data reduction software	XDS
Data scaling software	XDS
Phasing software	BALBES
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.672	2.589
High resolution limit [Å]	2.500	2.500
Rmerge	0.315	4.140
Rmeas	0.332	4.372
Rpim	0.104	1.395
Number of reflections	48501	4813
<I/σ(I)>	7.64	0.6
Completeness [%]	99.9	99.98
Redundancy	10	9.7
CC(1/2)	0.995	0.298

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	295.15	0.2 M BIS-TRIS, pH 5.5, 0.2 M MgSO4, 23.2% PEG 3350