9KBB

3-hydroxyisobutyrate dehydrogenase

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	2024-09-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97853
Spacegroup name	C 1 2 1
Unit cell lengths	75.279, 61.652, 60.634
Unit cell angles	90.00, 92.21, 90.00

Refinement procedure

Resolution	25.860 - 2.000
R-factor	0.2008
Rwork	0.199
R-free	0.22040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.680	2.050
High resolution limit [Å]	2.000	2.000
Rmerge	0.045	0.067
Rmeas	0.049	0.073
Rpim	0.019	0.029
Number of reflections	18833	1380
<I/σ(I)>	32.5	21.2
Completeness [%]	99.9	99.9
Redundancy	6.6	6.5
CC(1/2)	0.998	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Na2HPO4,K2HPO4,BisTris,PEG 3350