9HKA

Crystal structure of IMPDH from Burkholderia thailandensis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-10-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.978573
Spacegroup name	C 1 2 1
Unit cell lengths	136.700, 72.920, 95.710
Unit cell angles	90.00, 125.59, 90.00

Refinement procedure

Resolution	41.940 - 2.150
R-factor	0.1978
Rwork	0.197
R-free	0.21840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.415
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.940	2.230
High resolution limit [Å]	2.150	2.150
Number of reflections	40842	3992
<I/σ(I)>	16.93
Completeness [%]	98.3
Redundancy	7.2
CC(1/2)	0.999	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291.15	16%w/v PEG 4K, 0.1 M Tris 8.5 pH, 0.2 M MgCl2