8IMU

Dihydroxyacid dehydratase (DHAD) mutant-V497F

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	2020-01-12
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97892
Spacegroup name	P 41 21 2
Unit cell lengths	135.120, 135.120, 136.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 1.930
R-factor	0.1829
Rwork	0.182
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ze4
RMSD bond length	0.009
RMSD bond angle	1.038
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.960
High resolution limit [Å]	1.930	1.930
Rmerge	0.108	1.473
Number of reflections	95022	4650
<I/σ(I)>	13.6	2
Completeness [%]	100.0	99.9
Redundancy	13.2	13.4
CC(1/2)	0.999	0.870

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	289	0.1 M sodium acetate pH 5.0 1.5 M ammonium sulfate