3ZJ5

NEUROSPORA CRASSA CATALASE-3 EXPRESSED IN E. COLI, ORTHORHOMBIC FORM.

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	2012-11-11
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 21
Unit cell lengths	131.520, 154.800, 160.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.525 - 1.950
R-factor	0.1588
Rwork	0.157
R-free	0.19710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ej6
RMSD bond length	0.007
RMSD bond angle	1.121
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.500	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.140	0.430
Number of reflections	270245
<I/σ(I)>	7	2.6
Completeness [%]	95.0	87.8
Redundancy	3.8	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.6		200 MM AMMONIUM DIBASIC TARTRATE, 20 % PEG 3350, pH 6.6