9LMT

Crystal structure of variant FAST-ACC-A248E

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 EIGER2 X 9M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	51.026, 51.610, 84.496
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 1.500
R-factor	0.13498
Rwork	0.134
R-free	0.16247
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.983
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	1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.038	0.033	0.058
Rmeas	0.042	0.036	0.067
Rpim	0.019	0.015	0.033
Total number of observations	166988
Number of reflections	36009	3806	3528
<I/σ(I)>	35.7
Completeness [%]	98.4	97.8	98.4
Redundancy	4.6	5.4	4.4
CC(1/2)	0.997	0.999	0.995

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	298	1 M (NH4)2SO4, 0.15 M NaCl, 0.1 M Bis-Tris, pH 6.5