1JRK

Crystal Structure of a Nudix Protein from Pyrobaculum aerophilum Reveals a Dimer with Intertwined Beta Sheets

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-D
Temperature [K]	110
Detector technology	IMAGE PLATE
Collection date	2001-02-21
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	52.469, 81.464, 73.888
Unit cell angles	90.00, 99.96, 90.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.19 *
Rwork	0.190
R-free	0.27400 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	P. aerophilum mutT dimer solved in another space group (P21) by Wang et al.
RMSD bond length	0.013
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	90.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.093	0.465
Total number of observations	84048 *
Number of reflections	23707
<I/σ(I)>	14.1	3
Completeness [%]	98.2	97
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	293	Tris, MPD, MES buffer, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris	10 (mM)
2	1	drop	EDTA	5 (mM)	pH8.0
3	1	drop	protein	10.0 (mg/ml)
4	1	reservoir	MES	100 (mM)	pH6.2
5	1	reservoir	MPD	15 (%)