9JSQ

The mutant structure of Dihydroxyacid dehydratase (DHAD)-I177F

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	2019-04-05
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97853
Spacegroup name	P 42 21 2
Unit cell lengths	135.490, 135.490, 66.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.940 - 2.450
R-factor	0.1994
Rwork	0.198
R-free	0.23270
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ze4
RMSD bond length	0.002
RMSD bond angle	0.537
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.590	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.104	0.792
Rpim	0.071
Number of reflections	22544	2562
<I/σ(I)>	9.4
Completeness [%]	96.7	98.8
Redundancy	4.8	5
CC(1/2)	0.990	0.593

Crystallization Conditions

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