9HK8

Crystal structure of IMPDH from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-08-18
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	I 4
Unit cell lengths	119.240, 119.240, 141.980
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.710 - 2.750
R-factor	0.1865
Rwork	0.185
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.533
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.710	2.849
High resolution limit [Å]	2.750	2.750
Number of reflections	50819	2572
<I/σ(I)>	13.14	2.25
Completeness [%]	100.0
Redundancy	13.9
CC(1/2)	0.998	0.669

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	20%w/v PEG 3350; 50 mM NaCl