6RPU

Structure of the ternary complex of the IMPDH enzyme from Ashbya gossypii bound to the dinucleoside polyphosphate Ap5G 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	2016-11-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97725
Spacegroup name	I 4 2 2
Unit cell lengths	148.538, 148.538, 103.828
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	85.099 - 2.110
R-factor	0.255
Rwork	0.254
R-free	0.28350
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tc3
RMSD bond length	0.012
RMSD bond angle	1.112
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.15rc1_3420: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	85.099	2.257
High resolution limit [Å]	2.107	2.107
Rmerge	0.093	2.409
Rmeas	0.095	2.463
Rpim	0.020	0.507
Number of reflections	22408	1106
<I/σ(I)>	21.5	1.7
Completeness [%]	95.8	68.4
Redundancy	23.3	23.4
CC(1/2)	0.999	0.704

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.2 M Sodium Chloride, 0.1 M Sodium acetate, 20% (w/v) PEG6000