4KVR

Crystal Structure of Prochlorococcus marinus aldehyde-deformylating oxygenase (mutant V41Y)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-09-30
Detector	DECTRIS PILATUS 6M
Spacegroup name	P 43 21 2
Unit cell lengths	78.240, 78.240, 117.830
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.320 - 1.880
R-factor	0.1931
Rwork	0.192
R-free	0.21830
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.019
RMSD bond angle	1.086
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.320	1.947
High resolution limit [Å]	1.880	1.880
Number of reflections	29998
Completeness [%]		99.36

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	277	0.1 M sodium HEPES; MOPS buffer, 0.1M [Na -formate; NH4-acetate; Na3-citrate; Na K-tartrate (racemic); Na- oxamate], ethylene glycol, PEG 8K 30%, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 277K