2VNX

Crystal structure of soybean ascorbate peroxidase mutant W41A after exposure to a high dose of x-rays

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-03
Detector	ADSC CCD
Spacegroup name	P 42 21 2
Unit cell lengths	82.002, 82.002, 75.570
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.800 - 1.500
R-factor	0.177
Rwork	0.175
R-free	0.20900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ggn
RMSD bond length	0.010
RMSD bond angle	1.152
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	REFMAC
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.800	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.090	0.660
Number of reflections	34661
<I/σ(I)>	19.5	3.1
Completeness [%]	100.0	100
Redundancy	10.18	9.89

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8.3		pH 8.3