1JCN

BINARY COMPLEX OF HUMAN TYPE-I INOSINE MONOPHOSPHATE DEHYDROGENASE WITH 6-CL-IMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	93
Detector technology	CCD
Collection date	2000-05-05
Detector	CUSTOM-MADE
Spacegroup name	I 4
Unit cell lengths	148.108, 148.108, 122.016
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.740 - 2.500
R-factor	0.238
Rwork	0.238
R-free	0.27100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	CORE DOMAIN OF IMPDH MONOMER FROM HUMAN TYPE II/6-CL-IMP COMPLEX STRUCTURE
RMSD bond length	0.007
RMSD bond angle	1.500
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.740	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.093	0.366
Number of reflections	44411
<I/σ(I)>	6.3	1.9
Completeness [%]	97.7	93.7
Redundancy	3	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277	PROTEIN SOLUTION: 7MGS/ML PROTEIN, 50 MM TRIS HCL (PH 8.0), 50 MM KCL, 2MM EDTA, 1MM DTT, 5MM 6-CL-IMP. WELL SOLUTION: 9% (W/V) PEG-800, 100 MM TRIS HCL (PH 8.0), 1.0 M LICL, 24 MM BETAMERCAPTOETHANOL (2+2 MICROLITER DROPS), pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 277K