6RJN

Crystal structure of a Fungal Catalase at 2.3 Angstroms

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.98010
Spacegroup name	P 21 21 2
Unit cell lengths	165.943, 173.690, 96.490
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.665 - 2.295
R-factor	0.1451
Rwork	0.142
R-free	0.19630
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wwPDB 2XQ1
RMSD bond length	0.012
RMSD bond angle	1.163
Data reduction software	XDS (MARCH 1, 2015)
Data scaling software	Aimless (0.5.17)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.900	2.420
High resolution limit [Å]	2.290	2.290
Rmerge	0.253	1.477
Rmeas	0.279	1.604
Rpim	0.147	0.619
Number of reflections	124735	17551
<I/σ(I)>	9
Completeness [%]	99.5	97
Redundancy	6.7	6.6
CC(1/2)	0.988	0.579

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.2 M sodium sulfate, 0.1 M Bis-Tris propane, pH 6.5, 20% (w/v) polyethylene glycol (PEG) 3350