5K53

Crystal structures of aldehyde deformylating oxygenase from Oscillatoria sp. KNUA011

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	100
Detector technology	CCD
Collection date	2015-10-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97953
Spacegroup name	P 21 21 21
Unit cell lengths	55.012, 78.265, 108.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.010 - 1.800
R-factor	0.1949
Rwork	0.193
R-free	0.23410
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4quw
RMSD bond length	0.019
RMSD bond angle	1.840
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.010	50.000	1.830
High resolution limit [Å]	1.800	4.880	1.800
Rmerge	0.077	0.060
Number of reflections	43714
<I/σ(I)>	12
Completeness [%]	97.4	80.6	97.7
Redundancy	7.7	5.6	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		296	Tris, Ammonium sulfate