8E9R

Crystal structure of E. coli aspartate aminotransferase mutant VFCS in the ligand-free form 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)	0.8855
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	124.560 - 1.900
R-factor	0.1567
Rwork	0.153
R-free	0.19100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1x28
RMSD bond length	0.005
RMSD bond angle	0.793
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]	124.730	1.930
High resolution limit [Å]	1.900	1.900
Rmerge	0.200
Number of reflections	75209	3696
<I/σ(I)>	6.1
Completeness [%]	99.8
Redundancy	20
CC(1/2)	0.992	0.303

Crystallization Conditions

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