2WD4

Ascorbate Peroxidase as a heme oxygenase: w41A variant product with t-butyl peroxide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-02
Detector	ADSC CCD
Spacegroup name	P 42 21 2
Unit cell lengths	82.067, 82.067, 75.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	58.030 - 1.400
R-factor	0.1911
Rwork	0.190
R-free	0.21638
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ggn
RMSD bond length	0.008
RMSD bond angle	1.620
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.200	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.060	0.570
Number of reflections	51023
<I/σ(I)>	16.5	3.7
Completeness [%]	100.0	100
Redundancy	7.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP			SITTING DROP, LI2SO4 2.25 M, HEPES 0.1 M PH 8.3, PROTEIN CONCENTRATION 10 MG/ML