9K2J

X-ray crystal structure of 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	2020-01-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	289.160, 289.160, 65.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.930 - 2.880
R-factor	0.2064
Rwork	0.204
R-free	0.24050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3cky
RMSD bond length	0.011
RMSD bond angle	1.509
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.18.1_3865: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.920
High resolution limit [Å]	2.880	2.880
Rpim	0.111	0.111
Number of reflections	31927	31927
<I/σ(I)>	7.3
Completeness [%]	99.9
Redundancy	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.2	0.2 M Magnesium chloride, 0.1 M HEPES pH 7.5, 25 % PEG 3350