1QVJ

structure of NUDT9 complexed with ribose-5-phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	170
Detector technology	CCD
Collection date	2002-09-20
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00
Spacegroup name	I 2 2 2
Unit cell lengths	78.900, 87.455, 120.308
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 * - 1.900 *
Rwork	0.212
R-free	0.24300 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1q33
RMSD bond length	0.005 *
RMSD bond angle	1.233 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000 *	1.980
High resolution limit [Å]	1.900 *	1.910
Rmerge	0.043 *	0.311 *
Total number of observations	171127 *
Number of reflections	31006 *
<I/σ(I)>	35.4	4.4
Completeness [%]	94.8	88.9
Redundancy	5.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5 *	298	Ammonium sulfate, magnisum chloride, trisHCl, pH 8, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	Tris-HCl	25 (mM)	pH8.5
3	1	reservoir	EDTA	1 (mM)
4	1	reservoir	dithiothreitol	10 (mM)
5	1	reservoir		20 (mM)
6	1	reservoir		150 (mM)