8E9M

Crystal structure of E. coli aspartate aminotransferase mutant VFIT bound to maleic acid at 278 K

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	278
Detector technology	PIXEL
Collection date	2021-06-01
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.1158
Spacegroup name	P 63
Unit cell lengths	143.830, 143.830, 81.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	71.920 - 1.760
R-factor	0.1505
Rwork	0.148
R-free	0.17530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x28
RMSD bond length	0.005
RMSD bond angle	0.781
Data reduction software	xia2
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	124.300	1.790
High resolution limit [Å]	1.760	1.760
Rmerge	0.200
Number of reflections	94818	4736
<I/σ(I)>	7.4
Completeness [%]	100.0
Redundancy	10
CC(1/2)	0.997	0.267

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	HEPES, ammonium sulfate, maleate, PEG 400