7T7F

MA-1-206-OXA-23 25 minute complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	I 4 2 2
Unit cell lengths	174.457, 174.457, 80.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.010 - 2.300
R-factor	0.2443
Rwork	0.243
R-free	0.27280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jf6
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.010	2.380
High resolution limit [Å]	2.300	2.300
Rmeas	0.076
Rpim	0.020	0.428
Number of reflections	27628	2636
<I/σ(I)>	18.3	1.8
Completeness [%]	99.5	99.1
Redundancy	14.9	15.2
CC(1/2)	0.999	0.910

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.2 M succinic acid, 20% PEG3350