9HK6

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	2022-11-25
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 21 21 2
Unit cell lengths	137.580, 197.200, 93.190
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.300 - 3.350
R-factor	0.2142
Rwork	0.212
R-free	0.26210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.560
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]	49.300	3.470
High resolution limit [Å]	3.350	3.350
Number of reflections	37142	3584
<I/σ(I)>	13.41
Completeness [%]	99.7
Redundancy	13.7
CC(1/2)	0.999	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9.5	291.15	10%w/v PEG 8K, 0.1 M CHES 9.5 pH