7QBJ

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	2018-11-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	P 4
Unit cell lengths	145.041, 145.041, 120.099
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.320 - 2.270
R-factor	0.197
Rwork	0.193
R-free	0.22640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dqw
RMSD bond length	0.009
RMSD bond angle	1.042
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]	48.320	2.400
High resolution limit [Å]	2.270	2.270
Rmerge	0.167
Rmeas	0.173	0.891
Number of reflections	117473	18121
<I/σ(I)>	10.07
Completeness [%]	99.7
Redundancy	14
CC(1/2)	0.993	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.1 M TRIS 8.5 pH, 8 %w/v PEG 8K