4PAE

Crystal structure of catalase-peroxidase (KatG) W78F mutant from Synechococcus elongatus PCC7942

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-12-12
Detector	RAYONIX MX-225
Wavelength(s)	0.900
Spacegroup name	P 41 21 2
Unit cell lengths	107.673, 107.673, 204.788
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.270 - 3.206
R-factor	0.18387
Rwork	0.180
R-free	0.25956
RMSD bond length	0.011
RMSD bond angle	1.525
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.310
High resolution limit [Å]	3.206	3.206
Number of reflections	20400
<I/σ(I)>	8.7
Completeness [%]	99.8	99.8
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.3	277	SODIUM FORMATE