3KHJ

C. parvum inosine monophosphate dehydrogenase bound by inhibitor C64

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9194
Spacegroup name	P 1 21 1
Unit cell lengths	83.481, 166.141, 101.289
Unit cell angles	90.00, 105.14, 90.00

Refinement procedure

Resolution	42.135 - 2.800
R-factor	0.22643
Rwork	0.224
R-free	0.26627
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.998
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP ((CCP4))
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge		0.383
Number of reflections	65589
<I/σ(I)>		5.2
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	microbatch under oil	4.6	295	30% MPD, 100 mM sodium acetate pH 4.6, 20 mM calcium chloride, microbatch under oil, temperature 295K