5W7P

Crystal structure of OxaC

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	2015-07-16
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	I 4 2 2
Unit cell lengths	162.244, 162.244, 91.686
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.396 - 2.400
R-factor	0.1966
Rwork	0.195
R-free	0.23760
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.971
Data scaling software	XSCALE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.396
High resolution limit [Å]	2.300
Rmerge	0.081
Number of reflections	24188
<I/σ(I)>	24.28
Completeness [%]	100.0
Redundancy	23.5

Crystallization Conditions

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