4PGK

Insights into Substrate and Metal Binding from the Crystal Structure of Cyanobacterial Aldehyde Deformylating Oxygenase with Substrate Bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 43 21 2
Unit cell lengths	77.340, 77.340, 116.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.130 - 2.170
R-factor	0.2191
Rwork	0.219
R-free	0.22340
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tw3
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	HKL-2000
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	22.130
High resolution limit [Å]	2.170
Number of reflections	19412
<I/σ(I)>	20
Completeness [%]	100.0
Redundancy	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	20% PEG3350, 0.3 M NaCl