5W7S

Crystal structure of OxaC in complex with sinefungin and meleagrin

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	162.986, 162.986, 91.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.685 - 2.948
R-factor	0.1983
Rwork	0.195
R-free	0.25900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5w7p
RMSD bond length	0.009
RMSD bond angle	1.474
Data scaling software	XSCALE
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall
Low resolution limit [Å]	46.685
High resolution limit [Å]	2.948
Number of reflections	15374
<I/σ(I)>	14.25
Completeness [%]	99.8
Redundancy	14.7

Crystallization Conditions

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