7EGV

Acetolactate Synthase from Trichoderma harzianum with inhibitor harzianic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-01-30
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97847
Spacegroup name	C 1 2 1
Unit cell lengths	165.040, 79.910, 111.860
Unit cell angles	90.00, 103.10, 90.00

Refinement procedure

Resolution	45.620 - 2.540
R-factor	0.1773
Rwork	0.175
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6dek
RMSD bond length	0.008
RMSD bond angle	0.982
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.620	2.630
High resolution limit [Å]	2.540	2.540
Rmerge	0.138	0.704
Rmeas	0.171	0.879
Rpim	0.101	0.518
Number of reflections	46941	4563
<I/σ(I)>	10	2.2
Completeness [%]	99.9	100
Redundancy	5.2
CC(1/2)	0.990	0.754

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		289.15	10%PEG1000, 10%PEG3350, 12.5% v/v MPD, 0.03 M sodium nitrate, 0.03 M disodium hydrogen phosphate, 0.03 M ammonium sulfate, 0.1 M MES/imidazole pH 6.5.