3ZCY

Ascorbate peroxidase W41A-H42Y mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 42 21 2
Unit cell lengths	82.280, 82.280, 75.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.797 - 2.000
R-factor	0.1623
Rwork	0.160
R-free	0.21320
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1oag
RMSD bond length	0.008
RMSD bond angle	1.157
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.980	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.240
Number of reflections	18012
<I/σ(I)>	24	10.6
Completeness [%]	99.9	99.8
Redundancy	13.4	13.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1