9LMX

Inactive mutant of FAST-ACC-T140E/R132G in complex with mono(2-hydroxyethyl) terephthalic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-12-24
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.97621
Spacegroup name	P 21 21 21
Unit cell lengths	50.813, 51.209, 84.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.600 - 1.400
R-factor	0.10927
Rwork	0.108
R-free	0.14169
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.774
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	1.450
High resolution limit [Å]	1.400	3.010	1.400
Rmerge	0.048	0.046	0.059
Rmeas	0.054	0.053	0.067
Rpim	0.025	0.025	0.031
Total number of observations	206942
Number of reflections	43357	4498	4193
<I/σ(I)>	30.8
Completeness [%]	98.3	96.4	96.3
Redundancy	4.8	4.4	4.9
CC(1/2)	0.992	0.995	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	1.2 M (NH4)2SO4, 0.15 M NaCl, 0.1 M Bis-Tris, pH 6.5