5K52

Crystal structures of aldehyde deformylating oxygenase from Limnothrix sp. KNUA012

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-05-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9795
Spacegroup name	P 43
Unit cell lengths	135.658, 135.658, 71.795
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 2.400
R-factor	0.2125
Rwork	0.210
R-free	0.26150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4quw
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.192	0.093
Rmeas	0.202	0.100
Rpim	0.071	0.035	0.523
Total number of observations	628548
Number of reflections	52273
<I/σ(I)>	4.7
Completeness [%]	99.2	91.5	100
Redundancy	12	9.4	12.9
CC(1/2)		0.990	0.654

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	Bis-Tris propane, sodium chloride