1ZFJ

INOSINE MONOPHOSPHATE DEHYDROGENASE (IMPDH; EC 1.1.1.205) FROM STREPTOCOCCUS PYOGENES

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	110
Detector technology	CCD
Detector	SBC-1
Wavelength(s)	0.9791,1.0781
Spacegroup name	I 4 2 2
Unit cell lengths	151.480, 151.480, 101.680
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	6.000 - 1.900
R-factor	0.234 *
Rwork	0.232
R-free	0.26300
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	21.800 *
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.068	0.319
Total number of observations	263355 *
Number of reflections	44921
<I/σ(I)>	6	2.5
Completeness [%]	96.5	87.6
Redundancy	6.2	3.0 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.4 *	10 *	0.1 M MES (PH 7.2), 1.8 M AMMONIUM SULFATE, 10 MM COCL2, pH 7.20

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MES	0.1 (M)
2	1	reservoir	ammonium sulfate	1.8 (M)
3	1	reservoir		10 (mM)
4	1	drop	protein	20 (mg/ml)
5	1	drop	Bis-Tris-propane	10 (mM)
6	1	drop	IMP	1 (mM)