4XTI

Structure of IMP dehydrogenase of Ashbya gossypii with IMP bound to the active site

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	2014-11-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.99990
Spacegroup name	P 4
Unit cell lengths	117.775, 117.775, 56.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.884 - 1.500
R-factor	0.1614
Rwork	0.156
R-free	0.17780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4avf
RMSD bond length	0.003
RMSD bond angle	0.641
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: dev_1839))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.880	1.540
High resolution limit [Å]	1.500	1.500
Rmerge	0.090	1.467
Number of reflections	124507
<I/σ(I)>	15.15	1.43
Completeness [%]	100.0	100
Redundancy	12.6	11.75
CC(1/2)		0.655

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		298	25% (v/v) 1,2 propanediol, 0.1 M phosphate-citrate pH 4.2, 5% (w/v) PEG-3000, 10% (v/v) glycerol