6I0O

Structure of human IMP dehydrogenase, isoform 2, bound to GTP

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 PILATUS 6M
Wavelength(s)	0.99987
Spacegroup name	I 4 2 2
Unit cell lengths	134.119, 134.119, 325.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	81.953 - 2.623
R-factor	0.2206
Rwork	0.219
R-free	0.24370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4z87
RMSD bond length	0.003
RMSD bond angle	0.615
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX ((1.12rc1_2801: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	81.953	2.827
High resolution limit [Å]	2.623	2.623
Rmerge	0.142	1.564
Rmeas	0.155	1.689
Rpim	0.060	0.635
Number of reflections	44889	353
<I/σ(I)>	10.6	1.5
Completeness [%]	92.6	47
Redundancy	6.5	7
CC(1/2)	0.997	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	25% (w/v) PEG-1500 0.1 M Buffer MIB (malonic acid, imadazole, boric acid), pH 9.0