5TC3

Structure of IMP dehydrogenase from Ashbya gossypii bound to ATP and GDP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.99987
Spacegroup name	I 4
Unit cell lengths	147.880, 147.880, 103.542
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.760 - 2.462
R-factor	0.2178
Rwork	0.216
R-free	0.24170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z87
RMSD bond length	0.003
RMSD bond angle	0.561
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.11rc1_2513: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.760	2.550
High resolution limit [Å]	2.460	2.460
Rmerge	0.145	1.435
Number of reflections	40435
<I/σ(I)>	10.64	1.35
Completeness [%]	99.8	99.33
Redundancy	13.1	13.5
CC(1/2)	0.998	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	0.1 M Lithium Acetate 0.1 M BisTris, pH 6.0 20% (w/v) Sokolan CP42