2W23

Structure of mutant W169Y of Pleurotus eryngii versatile peroxidase (VP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	110
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	I 41
Unit cell lengths	96.740, 96.740, 98.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.010 - 1.940
R-factor	0.144
Rwork	0.142
R-free	0.17500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2vka
RMSD bond length	0.013
RMSD bond angle	1.322
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.4.0067)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.010	1.960
High resolution limit [Å]	1.940	1.940
Rmerge	0.080	0.240
Number of reflections	33392
<I/σ(I)>	13.6	4.11
Completeness [%]	99.8	99.4
Redundancy	4.14	3.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1