4AJ9

Catalase 3 from Neurospora crassa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X6A
Synchrotron site	NSLS
Beamline	X6A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-08
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	130.750, 154.190, 160.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 1.850
R-factor	0.1795
Rwork	0.177
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ej6
RMSD bond length	0.007
RMSD bond angle	1.075
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.900
High resolution limit [Å]	1.850	1.850
Rmerge	0.100	0.380
Number of reflections	269226
<I/σ(I)>	12.56	3.3
Completeness [%]	98.0	87.8
Redundancy	3.56	2.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.6		0.1 M MES PH 6.6, 20 % PEG 3350, 0.2 M AMMONIUM TARTRATE DIBASIC