7QEM

bacterial IMPDH chimera

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	2019-02-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0000
Spacegroup name	P 4
Unit cell lengths	143.320, 143.320, 119.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.770 - 3.090
R-factor	0.2029
Rwork	0.199
R-free	0.24120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dqw
RMSD bond length	0.011
RMSD bond angle	1.296
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.770	3.150
High resolution limit [Å]	3.070	3.070
Rmerge	0.415	2.788
Rmeas	0.432	2.914
Rpim	0.119	0.832
Number of reflections	44463	2450
<I/σ(I)>	6	1
Completeness [%]	98.0	73.4
Redundancy	13.1	11.2
CC(1/2)	0.981	0.314

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	1%w/v Tryptone, 0.05 M HEPES 7 pH, 12%w/v PEG 3350, 0.001% w/V NaN3