9LMU

Crystal structure of variant FAST-ACC-A47E

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-16
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	51.082, 51.393, 84.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.660 - 1.570
R-factor	0.10799
Rwork	0.106
R-free	0.13995
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.888
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.630
High resolution limit [Å]	1.570	3.380	1.570
Rmerge	0.026	0.023	0.033
Rmeas	0.029	0.026	0.038
Rpim	0.012	0.011	0.017
Total number of observations	167190
Number of reflections	31538	3284	3082
<I/σ(I)>	42.2
Completeness [%]	99.1	96.9	99.2
Redundancy	5.3	5.6	4.9
CC(1/2)	0.998	0.999	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1.5 M (NH4)2SO4, 0.1 M NaCl, 0.1 M Bis-Tris, pH 6.5