7T8Q

CRYSTAL STRUCTURE OF T151G CAO1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-06-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979180
Spacegroup name	P 32 2 1
Unit cell lengths	100.632, 100.632, 447.661
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.090 - 2.150
R-factor	0.1911
Rwork	0.190
R-free	0.21110
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5u8x
RMSD bond length	0.003
RMSD bond angle	1.197
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.280
High resolution limit [Å]	2.150	2.150
Rmerge	0.124	1.475
Number of reflections	142491	22485
<I/σ(I)>	13.8	1.1
Completeness [%]	99.0
Redundancy	5.1
CC(1/2)	0.997	0.429

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	295	0.1 M HEPES-NaOH pH 7 42% sodium polyacrylate 2100