7XLO

Crystal Structure of the Catalytic Domain of Inosine Monophosphate Dehydrogenase (IMPDH) from Methanocaldococcus jannaschii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2018-08-31
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	I 4
Unit cell lengths	97.650, 97.650, 168.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	53.370 - 2.600
R-factor	0.25525
Rwork	0.254
R-free	0.27606
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2cu0
RMSD bond length	0.007
RMSD bond angle	1.559
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	53.370	2.740
High resolution limit [Å]	2.600	2.600
Number of reflections	24178	24178
<I/σ(I)>	4
Completeness [%]	100.0
Redundancy	4.4
CC(1/2)	0.845	0.845

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH		297	0.05 M magnesium chloride hexahydrate, 0.1 M HEPES, pH 7.5, 30% v/v polyethylene glycol monomethyl ether 550