9LMW

Crystal structure of variant FAST-ACC-T140E

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	2024-10-05
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.9998
Spacegroup name	P 21 21 21
Unit cell lengths	51.109, 51.394, 84.230
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.650 - 1.500
R-factor	0.1342
Rwork	0.133
R-free	0.16436
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.931
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
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	0.040	0.050	0.041
Rmeas	0.044	0.055	0.046
Rpim	0.018	0.023	0.020
Total number of observations	206254
Number of reflections	36232	3827	3561
<I/σ(I)>	24.5
Completeness [%]	99.7	98.9	99.9
Redundancy	5.7	6	5.3
CC(1/2)	0.995	0.995	0.998

Crystallization Conditions

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