5W7R

Crystal structure of OxaC in complex with SAH and oxaline

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03
Spacegroup name	I 4 2 2
Unit cell lengths	162.878, 162.878, 90.040
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.494 - 2.497
R-factor	0.2202
Rwork	0.219
R-free	0.25050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w7p
RMSD bond length	0.009
RMSD bond angle	1.389
Data scaling software	XSCALE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.494
High resolution limit [Å]	2.400
Rmerge	0.134
Number of reflections	23938
<I/σ(I)>	19.96
Completeness [%]	99.9
Redundancy	16.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.6	293	lithium sulfate, ammonium sulfate, sodium citrate, glycerol