7T7D

MA-1-206-OXA-23 30s 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	2021-07-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97949
Spacegroup name	I 4 2 2
Unit cell lengths	173.362, 173.362, 80.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.760 - 2.650
R-factor	0.2194
Rwork	0.218
R-free	0.25320
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]	39.140	2.780
High resolution limit [Å]	2.650	2.650
Rmeas	0.080
Rpim	0.021	0.542
Number of reflections	18431	2410
<I/σ(I)>	20.5	1.6
Completeness [%]	100.0
Redundancy	14.7
CC(1/2)	0.999	0.751

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	298	0.2 M succinic acid, 20% PEG3350