8HS0

The mutant structure of DHAD V178W

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	2019-04-26
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97919
Spacegroup name	P 42 21 2
Unit cell lengths	135.920, 135.920, 66.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.980 - 1.420
R-factor	0.1819
Rwork	0.181
R-free	0.19670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ze4
RMSD bond length	0.007
RMSD bond angle	1.101
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]	45.310	1.440
High resolution limit [Å]	1.420	1.420
Rmerge	0.075	1.341
Rmeas	0.082
Rpim	0.032
Number of reflections	116848	5736
<I/σ(I)>	18
Completeness [%]	100.0
Redundancy	12.7
CC(1/2)	0.998	0.651

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