5MCP

Structure of IMP dehydrogenase from Ashbya gossypii bound to ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-09-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.99987
Spacegroup name	P 1 21 1
Unit cell lengths	127.891, 152.090, 152.255
Unit cell angles	90.00, 93.03, 90.00

Refinement procedure

Resolution	152.042 - 2.400
R-factor	0.2505
Rwork	0.249
R-free	0.27120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z0g
RMSD bond length	0.003
RMSD bond angle	0.588
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.11_2567: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	152.042	2.440
High resolution limit [Å]	2.400	2.400
Rmerge	0.206	1.487
Number of reflections	226714
<I/σ(I)>	5.8	1.3
Completeness [%]	100.0	100
Redundancy	6.5	6.3
CC(1/2)	0.994	0.686

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		297	0.05 M Imidazole + 0.05 M Mes; pH 6.5 20 % Glycerol 20 % PEG-4000 0.02 M D-glucose 0.02 M D-Mannose 0.02 M D_Galactose 0.02 M L-Fucose 0.02 M C-Xylose 0.02 M N-Acetyl-D-Glucosamine