4RC6

Crystal structure of cyanobacterial aldehyde-deformylating oxygenase 122F mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2014-01-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.98
Spacegroup name	P 21 21 21
Unit cell lengths	61.633, 61.838, 125.315
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.224 - 2.900
R-factor	0.2714
Rwork	0.270
R-free	0.29685
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4quw
RMSD bond length	0.013
RMSD bond angle	1.634
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.900	2.900
Number of reflections	9504
Completeness [%]	84.9	99.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.1	291	0.02 M adenosine-5'-triphosphate disodium salt hydrate, 0.2M L-proline, 0.1M Hepes pH 7.1, 25%(w/v) PEG1500, VAPOR DIFFUSION, SITTING DROP, temperature 291K