7QDX

bacterial IMPDH chimera

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	2019-04-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	I 4
Unit cell lengths	109.270, 109.270, 176.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.050 - 2.900
R-factor	0.2041
Rwork	0.201
R-free	0.26660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dqw
RMSD bond length	0.013
RMSD bond angle	1.373
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.050	2.910
High resolution limit [Å]	2.740	2.740
Rmerge	0.182	0.127
Number of reflections	53261	8420
<I/σ(I)>	6.8	1.13
Completeness [%]	98.4
Redundancy	4.8
CC(1/2)	0.991	0.445

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		191	10%w/v PEG 3K, 0.1 M Na Cacod 6.5 pH, 0.2 M MgCl2