9KEO

Crystal Structure of HdNadV and its complex with NAM

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979183
Spacegroup name	P 65
Unit cell lengths	160.820, 160.820, 129.790
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	52.640 - 2.620
R-factor	0.1935
Rwork	0.192
R-free	0.22770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.479
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX ((1.18.2_3874: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.640	2.714
High resolution limit [Å]	2.620	2.620
Number of reflections	57240	57275
<I/σ(I)>	1.34
Completeness [%]	99.9
Redundancy	1.32
CC(1/2)	0.900	0.900

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293.15	1.5 M ammonium sulfate and 0.1 M sodium acetate trihydrate [pH 4.6]) in the presence of 5 mM NAM