8IKZ

The mutant structure of DHAD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-01-20
Detector	DECTRIS PILATUS 300K
Wavelength(s)	0.97930
Spacegroup name	P 42 21 2
Unit cell lengths	135.580, 135.580, 66.670
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.600 - 1.750
R-factor	0.1802
Rwork	0.179
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ze4
RMSD bond length	0.008
RMSD bond angle	1.009
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]	47.530	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.068	0.788
Rmeas	0.080
Number of reflections	62203	3414
<I/σ(I)>	14.3
Completeness [%]	98.9
Redundancy	6.6
CC(1/2)	0.999	0.666

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