2YG6

Structure-based redesign of cofactor binding in Putrescine Oxidase: P15I-A394C double mutant

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
Detector	ADSC QUANTUM 210
Spacegroup name	P 21 21 2
Unit cell lengths	198.450, 80.290, 91.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.050 - 2.500
R-factor	0.18628
Rwork	0.184
R-free	0.23081
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yg3
RMSD bond length	0.022
RMSD bond angle	1.911
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CCP4
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.100	0.600
Number of reflections	51121
<I/σ(I)>	11.2	5.5
Completeness [%]	99.5	100
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		6.4		pH 6.4