2J4E

THE ITP COMPLEX OF HUMAN INOSINE TRIPHOSPHATASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	67.998, 75.292, 110.793
Unit cell angles	85.12, 77.72, 69.19

Refinement procedure

Resolution	19.810 - 2.800
R-factor	0.204
Rwork	0.201
R-free	0.26500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2car
RMSD bond length	0.007
RMSD bond angle	1.184
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.110	0.420
Number of reflections	45773
<I/σ(I)>	7.9	1.8
Completeness [%]	97.6	97.4
Redundancy	2	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.2 M POTASSIUM CHLORIDE, 31 % (W/V) PEG 3350, AND THE PROTEIN WAS ADDED FROM A 50 MG/ML STOCK SOLUTION CONTAINING 10MM ITP AND 20 MM HEPES PH 7.5.