1MEI

Inosine Monophosphate Dehydrogenase (IMPDH) From Tritrichomonas Foetus with XMP and mycophenolic acid bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2001-04-11
Detector	MARRESEARCH
Wavelength(s)	0.97
Spacegroup name	P 4 3 2
Unit cell lengths	155.070, 155.070, 155.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 2.200
Rwork	0.227
R-free	0.25600 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1ak5
RMSD bond length	0.005 *
RMSD bond angle	1.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.066	0.538 *
Total number of observations	407857 *
Number of reflections	32987 *
<I/σ(I)>	21.4	2.9
Completeness [%]	99.5	98.7
Redundancy	4.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	20 *	sodium malonate, Tris, 2-mercaptoethanol, EDTA, glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-15 (mg/ml)
10	1	reservoir	2-mercaptoethanol	1 (mM)
2	1	drop	Tris	50 (mM)	pH8.
3	1	drop		50 (mM)
4	1	drop	glycerol	10 (%(v/v))
5	1	drop	2-mercaptoethanol	1 (mM)
6	1	reservoir	ammonium sulfate	2.4 (M)
7	1	reservoir	Tris	100 (mM)	pH8.0
8	1	reservoir	glycerol	10 (%)
9	1	reservoir	PEG400	4 (mM)